2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid

C13H16ClNO4 — CID 43185166

IUPAC2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-7(2)5-10(13(18)19)15-12(17)9-6-8(14)3-4-11(9)16/h3-4,6-7,10,16H,5H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVWNLXXVVKSTOMS-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.27
Rot. Bonds5

About 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid

2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 43185166) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID43185166
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-7(2)5-10(13(18)19)15-12(17)9-6-8(14)3-4-11(9)16/h3-4,6-7,10,16H,5H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyVWNLXXVVKSTOMS-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
2-[(2,5-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 23191955
(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004943
2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 60832659
N-[1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55468080
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
5-chloro-N-[(2S)-1-[[(2S)-1-(3,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-hydroxybenzamide
CID 162650060
(2S)-2-[(2-chloro-4-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119361057
5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113248423
2-[(2-chloro-3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 81361459
(2S)-2-[[2-[(4-chloro-2-methylbenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695546

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid (CID 43185166) is 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1cc(Cl)ccc1O)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is VWNLXXVVKSTOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-7(2)5-10(13(18)19)15-12(17)9-6-8(14)3-4-11(9)16/h3-4,6-7,10,16H,5H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid?
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 285.73 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 43185166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).