(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid

C16H12N2O3 — CID 30112923

IUPAC(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
SMILESN#Cc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H12N2O3/c17-10-11-6-8-13(9-7-11)15(19)18-14(16(20)21)12-4-2-1-3-5-12/h1-9,14H,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyKFAZEBCBPBPZAC-AWEZNQCLSA-N
MW280.28 g/mol
LogP2.11
Rot. Bonds4

About (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid (PubChem CID 30112923) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
PubChem CID30112923
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
SMILESN#Cc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H12N2O3/c17-10-11-6-8-13(9-7-11)15(19)18-14(16(20)21)12-4-2-1-3-5-12/h1-9,14H,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyKFAZEBCBPBPZAC-AWEZNQCLSA-N
XLogP2.11
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic 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

N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide
CID 121264724
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-(4-cyanoanilino)-2-phenylacetic acid
CID 22039129
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
CID 71580592
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
(2R)-2-[(4-cyanobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004976
(2S)-2-phenyl-2-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]acetic acid
CID 167867101
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid (CID 30112923) is (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid is N#Cc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is KFAZEBCBPBPZAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-10-11-6-8-13(9-7-11)15(19)18-14(16(20)21)12-4-2-1-3-5-12/h1-9,14H,(H,18,19)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 280.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 30112923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).