alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid
2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
Also Known As: 4-Chlorokynurenine|4-Chloro Kynurenine|4-Cl-KYN|L-4-chlorokynurenine|4-Chloro-DL-kynurenine|(R)-4-Chlorokynurenine|2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid|L-4-CL-KYN|AV 101|4-Chloro Kynurenine-13C2,15N|AV-101|3-(4-Chloroanthraniloyl)-DL-alanine|3- (4-chloroanthraniloyl)-DL-alanine|Benzenebutanoic acid, a,2-diamino-4-chloro-g-oxo-|alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic Acid|J1.307.720G|(+/-)-AV-101|A,2-Diamino-4-chloro-|A-oxobenzenebutanoic Acid|(+/-)-|A,2-Diamino-4-chloro-|A-oxobenzenebutanoic Acid|2-amino-4-(2-amino-4-chloro-phenyl)-4-oxo-butanoic acid|Benzenebutanoic acid, alpha,2-diamino-4-chloro-gamma-oxo-, (+-)-|(2S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid|(S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid|a,2-Diamino-4-chloro-?-oxobenzenebutanoic Acid; (+/-)-a,2-Diamino-4-chloro-?-oxobenzenebutanoic Acid; 4-Cl-KYN; (+/-)-AV-101;
| Molecular Formula | C10H11ClN2O3 |
|---|---|
| Molecular Weight | 242.04582 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.04582 |
| Monoisotopic Mass | 242.04582 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 175777-22-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)N)C(=O)CC(C(=O)O)N |
| InChIKey | HQLHZNDJQSRKDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,2-Diamino-4-chloro-gamma-oxobenzenebutanoic acid (CAS 175777-22-7), with molecular formula C10H11ClN2O3 and molecular weight 242.04582 g/mol. IUPAC: 2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid.