(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid

C13H16ClNO4 — CID 107144107

IUPAC(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cc(O)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-2-3-4-11(13(18)19)15-12(17)9-7-8(16)5-6-10(9)14/h5-7,11,16H,2-4H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyYFJQYESAXXOVIO-NSHDSACASA-N
MW285.73 g/mol
LogP2.42
Rot. Bonds6

About (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid

(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid (PubChem CID 107144107) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
PubChem CID107144107
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cc(O)ccc1Cl)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-2-3-4-11(13(18)19)15-12(17)9-7-8(16)5-6-10(9)14/h5-7,11,16H,2-4H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyYFJQYESAXXOVIO-NSHDSACASA-N
XLogP2.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic 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

(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 106500234
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106500403
(2S)-5-amino-2-[(2-chloro-5-hydroxybenzoyl)amino]-5-oxopentanoic acid
CID 106500238
(2S)-2-[(2-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 107144325
2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
CID 107729294
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
6-amino-2-[(2,5-dichlorobenzoyl)amino]-6-oxohexanoic acid
CID 54245496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid (CID 107144107) is (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1cc(O)ccc1Cl)C(=O)O.
What is the InChIKey of (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid?
The InChIKey is YFJQYESAXXOVIO-NSHDSACASA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-2-3-4-11(13(18)19)15-12(17)9-7-8(16)5-6-10(9)14/h5-7,11,16H,2-4H2,1H3,(H,15,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid?
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid has a molecular weight of 285.73 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 107144107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).