2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid

C13H17NO5 — CID 55075944

IUPAC2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(C)ccc1O)C(=O)O
InChIInChI=1S/C13H17NO5/c1-8-3-4-11(15)9(7-8)12(16)14-10(13(17)18)5-6-19-2/h3-4,7,10,15H,5-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWDXATFXBJNEKEO-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.92
Rot. Bonds6

About 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid

2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid (PubChem CID 55075944) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
PubChem CID55075944
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(C)ccc1O)C(=O)O
InChIInChI=1S/C13H17NO5/c1-8-3-4-11(15)9(7-8)12(16)14-10(13(17)18)5-6-19-2/h3-4,7,10,15H,5-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWDXATFXBJNEKEO-UHFFFAOYSA-N
XLogP0.92
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
CID 107831579
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
CID 107731415
2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62539659
(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820629
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
2-hydroxy-1-(2-hydroxy-5-methylphenyl)-4-methoxybutan-1-one
CID 67627861
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780387
2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120977642
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid (CID 55075944) is 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1cc(C)ccc1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid?
The InChIKey is WDXATFXBJNEKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-3-4-11(15)9(7-8)12(16)14-10(13(17)18)5-6-19-2/h3-4,7,10,15H,5-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid?
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 55075944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).