2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid

C13H16ClNO4 — CID 65220450

IUPAC2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)c1ccc(Cl)cc1O)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-7(2)10(13(18)19)6-15-12(17)9-4-3-8(14)5-11(9)16/h3-5,7,10,16H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQNFSWNGQGFTXKD-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.13
Rot. Bonds5

About 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid

2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 65220450) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
PubChem CID65220450
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)c1ccc(Cl)cc1O)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-7(2)10(13(18)19)6-15-12(17)9-4-3-8(14)5-11(9)16/h3-5,7,10,16H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQNFSWNGQGFTXKD-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
2-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 107013642
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103819904
3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492259
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220451
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
2-[[(3-chloro-2-methylbenzoyl)amino]methyl]-3-methylbutanoic acid
CID 107095969
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219401
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid (CID 65220450) is 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)c1ccc(Cl)cc1O)C(=O)O.
What is the InChIKey of 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is QNFSWNGQGFTXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-7(2)10(13(18)19)6-15-12(17)9-4-3-8(14)5-11(9)16/h3-5,7,10,16H,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid?
2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 285.73 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65220450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).