gamma-L-Glutamyl-beta-aminoisobutyric acid
PubChem CID: 361537
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| Compound Synonyms | NSC624679, .Gamma.-L-Glutamyl-.beta.-aminoisobutyric acid, CHEBI:229123, N~5~-(2-Carboxypropyl)glutamine, NSC-624679, gamma-L-Glutamyl-L-beta-aminoisobutyric acid, 2-amino-5-(2-carboxypropylamino)-5-oxopentanoic acid, 2-amino-5-[(3-hydroxy-2-methyl-3-oxo-propyl)amino]-5-oxo-pentanoic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 130.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids, Dipeptides |
| Deep Smiles | O=CNCCC=O)O))C))))CCCC=O)O))N |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-5-(2-carboxypropylamino)-5-oxopentanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16N2O5 |
| Inchi Key | FFJJSWCEJRPJEI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | gamma-l-glutamyl-beta-aminoisobutyric acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CNC(C)=O |
| Compound Name | gamma-L-Glutamyl-beta-aminoisobutyric acid |
| Exact Mass | 232.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.106 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 232.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H16N2O5/c1-5(8(13)14)4-11-7(12)3-2-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16) |
| Smiles | CC(CNC(=O)CCC(C(=O)O)N)C(=O)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Rhynchosia Hirta (Plant) Rel Props:Reference:ISBN:9788185042138