3-(4-hydroxyanilino)propanoic acid

C9H11NO3 — CID 12814012

IUPAC3-(4-hydroxyanilino)propanoic acid
SMILESO=C(O)CCNc1ccc(O)cc1
InChIInChI=1S/C9H11NO3/c11-8-3-1-7(2-4-8)10-6-5-9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeySLVUHKJYTSTDGW-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.28
Rot. Bonds4

About 3-(4-hydroxyanilino)propanoic acid

3-(4-hydroxyanilino)propanoic acid (PubChem CID 12814012) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(4-hydroxyanilino)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyanilino)propanoic acid
PubChem CID12814012
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(4-hydroxyanilino)propanoic acid
SMILESO=C(O)CCNc1ccc(O)cc1
InChIInChI=1S/C9H11NO3/c11-8-3-1-7(2-4-8)10-6-5-9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeySLVUHKJYTSTDGW-UHFFFAOYSA-N
XLogP1.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 3-(4-hydroxyanilino)propanoic 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 3-(4-hydroxyanilino)propanoic acid?
The IUPAC name of 3-(4-hydroxyanilino)propanoic acid (CID 12814012) is 3-(4-hydroxyanilino)propanoic acid.
What is the SMILES notation for 3-(4-hydroxyanilino)propanoic acid?
The canonical SMILES for 3-(4-hydroxyanilino)propanoic acid is O=C(O)CCNc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyanilino)propanoic acid?
The InChIKey is SLVUHKJYTSTDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8-3-1-7(2-4-8)10-6-5-9(12)13/h1-4,10-11H,5-6H2,(H,12,13).
What are the key properties of 3-(4-hydroxyanilino)propanoic acid?
3-(4-hydroxyanilino)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyanilino)propanoic acid is sourced from PubChem (CID 12814012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).