4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid

C13H16ClNO4 — CID 62041969

IUPAC4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO4/c1-13(2,6-5-11(17)18)15-12(19)9-4-3-8(14)7-10(9)16/h3-4,7,16H,5-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyDLLMKAHDWRNDAW-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.42
Rot. Bonds5

About 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid

4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 62041969) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID62041969
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO4/c1-13(2,6-5-11(17)18)15-12(19)9-4-3-8(14)7-10(9)16/h3-4,7,16H,5-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyDLLMKAHDWRNDAW-UHFFFAOYSA-N
XLogP2.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
4-[(5-chloro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 103790574
4-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114343317
4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62044588
4-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119204062
4-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-hydroxybenzamide
CID 107867828
2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113368382
2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
CID 103764879
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278
4-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204342
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid (CID 62041969) is 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is DLLMKAHDWRNDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-13(2,6-5-11(17)18)15-12(19)9-4-3-8(14)7-10(9)16/h3-4,7,16H,5-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid?
4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 285.73 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62041969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).