Betalamic acid

PubChem CID: 5281176

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Betalamic acid, 18766-66-0, (2S,4E)-4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid, CHEBI:27483, (2S,4E)-4-(2-oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid, (S-(E))-1,2,3,4-tetrahydro-4-(oxoethylidene)-2,6-pyridinedicarboxylic acid, 2,6-Pyridinedicarboxylic acid, 1,2,3,4-tetrahydro-4-(oxoethylidene)-, (S-(E))-, (2S,4E)-1,2,3,4-Tetrahydro-4-(2-oxoethylidene)pyridine-2,6-dicarboxylic acid, (S)-betalamic acid, SCHEMBL2186623, CHEMBL2062984, DTXSID001317375, HY-N12967, CS-1099498, C08538, Q27103157, (S,E)-4-(2-Oxoethylidene)-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	104.0
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1CCCCC1
Np Classifier Class	Aminoacids
Deep Smiles	O=C/C=CC[C@H]NC=C6)C=O)O))))C=O)O
Heavy Atom Count	15.0
Classyfire Class	Carboxylic acids and derivatives
Scaffold Graph Node Level	CC1CCNCC1
Classyfire Subclass	Amino acids, peptides, and analogues
Isotope Atom Count	0.0
Molecular Complexity	369.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	n.a.
Iupac Name	(2S,4E)-4-(2-oxoethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organic acids and derivatives
Xlogp	-0.3
Gsk 4 400 Rule	True
Molecular Formula	C9H9NO5
Scaffold Graph Node Bond Level	C=C1C=CNCC1
Prediction Swissadme	0.0
Inchi Key	YQDKULBMDMPFLH-FSRBREEPSA-N
Silicos It Class	Soluble
Fcsp3	0.2222222222222222
Logs	-0.913
Rotatable Bond Count	3.0
Logd	-0.396
Synonyms	betalamic acid
Esol Class	Very soluble
Functional Groups	CC(=O)O, O=C/C=C1/C=C(C(=O)O)NCC1
Compound Name	Betalamic acid
Prediction Hob Swissadme	0.0
Exact Mass	211.048
Formal Charge	0.0
Monoisotopic Mass	211.048
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	211.17
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-0.7559726
Inchi	InChI=1S/C9H9NO5/c11-2-1-5-3-6(8(12)13)10-7(4-5)9(14)15/h1-3,7,10H,4H2,(H,12,13)(H,14,15)/b5-1-/t7-/m0/s1
Smiles	C\1[C@H](NC(=C/C1=C/C=O)C(=O)O)C(=O)O
Nring	1.0
Np Classifier Biosynthetic Pathway	Amino acids and Peptides
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Small peptides

1. Outgoing r'ship FOUND_IN to/from Aloe Vulgaris (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Amelanchier Vulgaris (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Angelonia Grandiflora (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Anthocleista Grandiflora (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aquilegia Vulgaris (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aristolochia Grandiflora (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Bambusa Vulgaris (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Barbarea Vulgaris (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Barlaria Cristata (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Barleria Cristata (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Beaumontia Grandiflora (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Berberis Vulgaris (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Beta Benghalensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Beta Maritima (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Beta Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
17. Outgoing r'ship FOUND_IN to/from Brunfelsia Grandiflora (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Campsis Grandiflora (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Celosia Argentea (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Celosia Cristada (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Celosia Cristata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
22. Outgoing r'ship FOUND_IN to/from Centranthera Grandiflora (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Citrullus Vulgaris (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Coelogyne Cristata (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Coreopsis Grandiflora (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Cryptostegia Grandiflora (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Cyanotis Cristata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Dioclea Grandiflora (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Duabanga Grandiflora (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Elsholtzia Cristata (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Espeletia Grandiflora (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Euphrasia Vulgaris (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Falcaria Vulgaris (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Gardenia Jasminoides (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Gendarussa Vulgaris (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Heterotheca Grandiflora (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Hippuris Vulgaris (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Hymenoxys Grandiflora (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Ipomoea Grandiflora (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Iris Cristata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Jacobaea Vulgaris (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Kleinia Grandiflora (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Lagenaria Vulgaris (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Lepidagathis Cristata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Linaria Vulgaris (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Notonia Grandiflora (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Nymphoides Cristata (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Odontites Vulgaris (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Opuntia Vulgaris (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Picea Vulgaris (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Pinguicula Vulgaris (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Polygala Vulgaris (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Portulaca Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
58. Outgoing r'ship FOUND_IN to/from Portulaca Guadrifida (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Portulaca Obracea (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Portulaca Oleracea (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Portulaca Pilosa (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Portulaca Quadrifida (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Portulaca Tuberosa (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Primula Grandiflora (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Quamoclit Vulgaris (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Rhus Vulgaris (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Satureja Vulgaris (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Schisandra Grandiflora (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Sesbania Grandiflora (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Sideritis Grandiflora (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Silene Vulgaris (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Syringa Vulgaris (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Tecoma Grandiflora (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Thunbergia Grandiflora (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Tilia Vulgaris (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Trigonella Grandiflora (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Utricularia Vulgaris (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Uvaria Grandiflora (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Zephyranthes Grandiflora (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Zizyphus Vulgaris (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Betalamic acid

Graph

Phytochemical Properties

Associated Connections 83

Plant Connections 83