(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid

C13H16ClNO3 — CID 114027907

IUPAC(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(Cl)cc1C)C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-3-4-11(13(17)18)15-12(16)10-6-5-9(14)7-8(10)2/h5-7,11H,3-4H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyQEMOAUURKRHZSM-LLVKDONJSA-N
MW269.73 g/mol
LogP2.63
Rot. Bonds5

About (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid

(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid (PubChem CID 114027907) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
PubChem CID114027907
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(Cl)cc1C)C(=O)O
InChIInChI=1S/C13H16ClNO3/c1-3-4-11(13(17)18)15-12(16)10-6-5-9(14)7-8(10)2/h5-7,11H,3-4H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyQEMOAUURKRHZSM-LLVKDONJSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic 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

2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-chloro-2-methylbenzamide
CID 82883979
(2R)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 25323237
(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid
CID 107563784
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826
(2S)-2-[[2-[(4-chloro-2-methylbenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695546
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid (CID 114027907) is (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccc(Cl)cc1C)C(=O)O.
What is the InChIKey of (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid?
The InChIKey is QEMOAUURKRHZSM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-3-4-11(13(17)18)15-12(16)10-6-5-9(14)7-8(10)2/h5-7,11H,3-4H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid?
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 114027907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).