1(4H)-Pyridinealanine, 3-hydroxy-4-oxo-
PubChem CID: 3862
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| Compound Synonyms | Mimosine, 2116-55-4, DL-Mimosine, 10182-82-8, Mimosine, (+/-)-, 2-amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoic acid, 2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid, X9W047UL80, NSC69188, NSC159548, NSC-159548, 1(4H)-Pyridinealanine, 3-hydroxy-4-oxo-, 2-AMINO-3-(3-HYDROXY-4-OXO-PYRIDIN-1-YL)PROPANOIC ACID, 2-amino-3-(3-hydroxy-4-oxo-1,4-dihydropyridin-1-yl)propanoic acid, 3-(3-Hydroxy-4-oxopyridin-1(4H)-yl)alanine, Leucenine, Leucenol, Prestwick_830, (+/-)-mimosine, Spectrum_000287, starbld0038733, MIMOSINE, DL-, Prestwick0_000379, Prestwick1_000379, Prestwick2_000379, Spectrum2_000656, Spectrum3_000722, Spectrum4_000110, Spectrum5_001484, SCHEMBL41924, BSPBio_002244, KBioGR_000440, KBioSS_000767, DivK1c_001000, SPECTRUM1500869, UNII-X9W047UL80, SPBio_000691, SPBio_002458, MIMOSINE DL-FORM [MI], CHEMBL251433, CHEBI:95190, HMS503G21, KBio1_001000, KBio2_000767, KBio2_003335, KBio2_005903, KBio3_001464, DTXSID80950337, WLN: T6N DVJ A1YZVQ CQ, NINDS_001000, HMS1569K19, HMS1921M08, HMS3744K15, Leucena glauca .alpha.-amino acid, 1(4H)-Pyridinepropionic acid, .alpha.-amino-3-hydroxy-4-oxo-, BCP13303, CCG-38561, STL564778, 1(4H)-Pyridinepropanoic acid, (S)-, AKOS006228368, NSC 159548, SDCCGMLS-0066728.P001, IDI1_001000, NCGC00094870-01, NCGC00094870-02, NCGC00094870-03, NCGC00178740-01, NCI60_032990, DB-134434, CS-0119397, NS00043037, Q27166999, 1(4H)-Pyridinepropanoic acid, alpha-amino-3-hydroxy-4-oxo-, 1-L-alpha-Aminopropionil, 3-hydroxi, 4-oxopiridina [Spanish], 2-amino-3-(3-hydroxy-4-oxo-1H-pyridin-1-yl)-propanoic acid, .beta.-[N-(3-Hydroxy-4-pyridone)]-.alpha.-aminopropionic acid, 1(4H)-Pyridinepropanoicacid, a-amino-3-hydroxy-4-oxo-, (aS)-, 1(4H)-PYRIDINEPROPANOIC ACID, .ALPHA.-AMINO-3-HYDROXY-4-OXO-, 1(4H)-Pyridinepropanoic acid, alpha-amino-3-hydroxy-4-oxo-, (+-)-, propanoic acid, 2-amino-3-(1,4-dihydro-3-hydroxy-4-oxo-1-pyridyl)-, 27678-82-6 |
|---|---|
| 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 | OC=O)CCnccc=O)cc6)O)))))))N |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | OC1CCNCC1 |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10N2O4 |
| Scaffold Graph Node Bond Level | O=c1cc[nH]cc1 |
| Inchi Key | WZNJWVWKTVETCG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | mimosine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, c=O, cO, cn(c)C |
| Compound Name | 1(4H)-Pyridinealanine, 3-hydroxy-4-oxo- |
| Exact Mass | 198.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.064 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 198.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14) |
| Smiles | C1=CN(C=C(C1=O)O)CC(C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Leucaena Leucocephala (Plant) Rel Props:Reference:ISBN:9780387706375 - 2. Outgoing r'ship
FOUND_INto/from Mimosa Pudica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279