4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid

C15H13ClN2O3 — CID 103869601

IUPAC4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid
SMILESN[C@H](C(=O)Nc1ccc(C(=O)O)cc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c16-11-8-10(15(20)21)6-7-12(11)18-14(19)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyZPLYSSXXNMZUAU-ZDUSSCGKSA-N
MW304.73 g/mol
LogP2.68
Rot. Bonds4

About 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid

4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid (PubChem CID 103869601) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid.

Molecular Properties

Compound Name4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid
PubChem CID103869601
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid
SMILESN[C@H](C(=O)Nc1ccc(C(=O)O)cc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c16-11-8-10(15(20)21)6-7-12(11)18-14(19)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyZPLYSSXXNMZUAU-ZDUSSCGKSA-N
XLogP2.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 61180487
2-amino-N-(2-chloro-4-fluorophenyl)-2-phenylacetamide
CID 43150560
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
4-[(2-amino-3-methoxypropanoyl)amino]-3-chlorobenzoic acid
CID 81089429
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121
2-amino-N-(3-chloro-2-fluorophenyl)-2-phenylacetamide
CID 43123024
4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid
CID 43809174
2-[[(2R)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 61157364
4-[2-(aminomethyl)butanoylamino]-3-chlorobenzoic acid
CID 65228370
3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
CID 80722030
(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide
CID 104897258
N-(4-bromo-2-chlorophenyl)-2-chloro-2-phenylacetamide
CID 43236641

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid?
The IUPAC name of 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid (CID 103869601) is 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid.
What is the SMILES notation for 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid?
The canonical SMILES for 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid is N[C@H](C(=O)Nc1ccc(C(=O)O)cc1Cl)c1ccccc1.
What is the InChIKey of 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid?
The InChIKey is ZPLYSSXXNMZUAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-8-10(15(20)21)6-7-12(11)18-14(19)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2,(H,18,19)(H,20,21)/t13-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid?
4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid has a molecular weight of 304.73 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid is sourced from PubChem (CID 103869601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).