4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid

C12H15NO4 — CID 80539044

IUPAC4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(16)17)6-7-13-11(15)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyWIPYMNALDNORML-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.23
Rot. Bonds5

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

4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid (PubChem CID 80539044) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
PubChem CID80539044
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(16)17)6-7-13-11(15)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyWIPYMNALDNORML-UHFFFAOYSA-N
XLogP1.23
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid (CID 80539044) is 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid is CC(CCNC(=O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is WIPYMNALDNORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(16)17)6-7-13-11(15)9-2-4-10(14)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid?
4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 80539044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).