2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid

C12H14ClNO4 — CID 43185169

IUPAC2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-6(2)10(12(17)18)14-11(16)8-5-7(13)3-4-9(8)15/h3-6,10,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyNWOZLFKNNZOEEQ-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.88
Rot. Bonds4

About 2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid

2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid (PubChem CID 43185169) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
PubChem CID43185169
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-6(2)10(12(17)18)14-11(16)8-5-7(13)3-4-9(8)15/h3-6,10,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyNWOZLFKNNZOEEQ-UHFFFAOYSA-N
XLogP1.88
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-chloro-2-iodobenzoyl)amino]-3-methylbutanoic acid
CID 103804174
5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 46180343
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 46862079
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylbutanoic acid
CID 30117592
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004943
(2R)-2-[(2-chloro-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 106860616
N-[(2S)-1-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55936922
2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 60832659
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid (CID 43185169) is 2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)c1cc(Cl)ccc1O)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid?
The InChIKey is NWOZLFKNNZOEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-6(2)10(12(17)18)14-11(16)8-5-7(13)3-4-9(8)15/h3-6,10,15H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid?
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.88, 4 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]-3-methylbutanoic acid is sourced from PubChem (CID 43185169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).