Albizziin
PubChem CID: 92891
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| Compound Synonyms | Albizziin, L-Albizziin, 1483-07-4, L-Albizziine, Albizzin, Albizzine, L-2-Amino-3-ureidopropionic acid, Albizziin (VAN), L-Alanine, 3-[(aminocarbonyl)amino]-, (2S)-2-amino-3-(carbamoylamino)propanoic acid, 3-Ureido-L-alanin, L-beta-Ureidoalanine, RW59AS48CR, (S)-2-Amino-3-ureidopropanoic acid, NSC 132089, L-(-)-2-Amino-3-ureidopropionic acid, 2-Amino-3-ureidopropionic acid, ALBIZZIIN [MI], EINECS 216-046-1, L-(-)2-amino-3-ureidopropionic acid, NSC 407273, DTXSID501318659, NSC-132089, L-Alanine, 3-((aminocarbonyl)amino)-, Propionic acid, 2-amino-3-ureido-, L-, 3-((AMINOCARBONYL)AMINO)-L-ALANINE, C4H9N3O3, h-beta-(ureido)-ala-oh, UNII-RW59AS48CR, (Butyl Paraben), 3-[(Aminocarbonyl)amino]L-alanine, L-ss-Ureodialanine, L-2-Amino-3-ureidopropionic acid, MFCD00007952, (2S)-2-amino-3-ureido-propanoic acid, Butyl 4-?Hydroxybenzoate, A808754, SCHEMBL690347, CHEBI:6173, AlbiZZiin (H-Dap(CONH2)-OH), DTXCID901748462, (S)-2-Amino-3-ureidopropanoicacid, 3-[(Aminocarbonyl)amino]alanine #, NSC823850, ZINC01531037, AKOS006237907, FA17261, NSC-823850, AS-63003, DB-022424, HY-121167, CS-0079579, NS00121814, (2S)-2-ammonio-3-(carbamoylamino)propanoate, (2S)-2-azaniumyl-3-(carbamoylamino)propanoate, C08264, C90278, EN300-7026825, (2S)-3-(aminocarbonylamino)-2-azaniumyl-propanoate, Q27107112, H--((Aminocarbonyl)amino)-Ala-OH, H-Dap(carbamoyl)-OH, 3-[(Aminocarbonyl)amino]-L-alanine, L-(-)-2-Amino-3-ureidopropionic acid, L-Albizziine |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | NC=O)NC[C@@H]C=O)O))N |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-3-(carbamoylamino)propanoic acid |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -4.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H9N3O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZYFIMLSHBLMKF-REOHCLBHSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Logs | -1.429 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.534 |
| Synonyms | albizziin |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CNC(N)=O |
| Compound Name | Albizziin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.064 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.064 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 147.13 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | 1.9561692 |
| Inchi | InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1 |
| Smiles | C([C@@H](C(=O)O)N)NC(=O)N |
| Nring | 0.0 |
| 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 Albizia Adinocephala (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Albizia Amara (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Albizia Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Albizia Gummifera (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Albizia Inundata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Albizia Lebbeck (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Albizia Lucidior (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Albizia Myriophylla (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Albizia Odoratissima (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Albizia Procera (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Albizia Saman (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Albizia Schimperana (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Albizzia Chinensis (Plant) Rel Props:Reference: