2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid

C11H13NO4 — CID 24700633

IUPAC2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NC(C)C(=O)O)c(O)c1
InChIInChI=1S/C11H13NO4/c1-6-3-4-8(9(13)5-6)10(14)12-7(2)11(15)16/h3-5,7,13H,1-2H3,(H,12,14)(H,15,16)
InChIKeyLZPPVFPQSISPJS-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.90
Rot. Bonds3

About 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid

2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid (PubChem CID 24700633) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
PubChem CID24700633
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NC(C)C(=O)O)c(O)c1
InChIInChI=1S/C11H13NO4/c1-6-3-4-8(9(13)5-6)10(14)12-7(2)11(15)16/h3-5,7,13H,1-2H3,(H,12,14)(H,15,16)
InChIKeyLZPPVFPQSISPJS-UHFFFAOYSA-N
XLogP0.90
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 119348543
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 115665154
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 47317319
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
2-[(2-cyclopentylsulfanyl-5-methylbenzoyl)amino]propanoic acid
CID 120523708
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 24709135
2-[(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 16778253
2-hydroxy-4-methyl-N-(2-phenylpropyl)benzamide
CID 47098893

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid (CID 24700633) is 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid is Cc1ccc(C(=O)NC(C)C(=O)O)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid?
The InChIKey is LZPPVFPQSISPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6-3-4-8(9(13)5-6)10(14)12-7(2)11(15)16/h3-5,7,13H,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid?
2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 24700633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).