(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid

C15H13ClN2O3 — CID 107315149

IUPAC(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESNc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-12-4-2-1-3-11(12)13(15(20)21)18-14(19)9-5-7-10(17)8-6-9/h1-8,13H,17H2,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyPFQKDKMIMGQCGQ-CYBMUJFWSA-N
MW304.73 g/mol
LogP2.48
Rot. Bonds4

About (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid

(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid (PubChem CID 107315149) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
PubChem CID107315149
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESNc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c16-12-4-2-1-3-11(12)13(15(20)21)18-14(19)9-5-7-10(17)8-6-9/h1-8,13H,17H2,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyPFQKDKMIMGQCGQ-CYBMUJFWSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107314767
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315066
(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107314545
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
2-benzamido-2-(2-methylphenyl)acetic acid
CID 82092810
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(2R,3S)-3-(2-chlorophenyl)-2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 66658179
(2R)-2-(2-chlorophenyl)-2-[(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 107314623

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid (CID 107315149) is (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid is Nc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)cc1.
What is the InChIKey of (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is PFQKDKMIMGQCGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-4-2-1-3-11(12)13(15(20)21)18-14(19)9-5-7-10(17)8-6-9/h1-8,13H,17H2,(H,18,19)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid?
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 304.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 107315149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).