4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid

C11H12ClNO4 — CID 107832377

IUPAC4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO4/c12-8-4-2-1-3-7(8)10(15)13-6-5-9(14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)
InChIKeyXKBHGNINSGMJFL-UHFFFAOYSA-N
MW257.67 g/mol
LogP0.91
Rot. Bonds5

About 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid

4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107832377) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
PubChem CID107832377
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO4/c12-8-4-2-1-3-7(8)10(15)13-6-5-9(14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)
InChIKeyXKBHGNINSGMJFL-UHFFFAOYSA-N
XLogP0.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 107832638
(2S)-4-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006650
4-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006274
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398
4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836135
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006239
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid (CID 107832377) is 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid is O=C(NCCC(O)C(=O)O)c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is XKBHGNINSGMJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c12-8-4-2-1-3-7(8)10(15)13-6-5-9(14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17).
What are the key properties of 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid?
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 257.67 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107832377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).