4-(4-aminophenyl)butanoic acid

C10H13NO2 — CID 27049

IUPAC4-(4-aminophenyl)butanoic acid
SMILESNc1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C10H13NO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3,11H2,(H,12,13)
InChIKeyRBHLFWNKEWLHBP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.68
Rot. Bonds4

About 4-(4-aminophenyl)butanoic acid

4-(4-aminophenyl)butanoic acid (PubChem CID 27049) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(4-aminophenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-aminophenyl)butanoic acid
PubChem CID27049
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-(4-aminophenyl)butanoic acid
SMILESNc1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C10H13NO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3,11H2,(H,12,13)
InChIKeyRBHLFWNKEWLHBP-UHFFFAOYSA-N
XLogP1.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-aminophenyl)butanoic 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-aminophenyl)butanoic acid?
The IUPAC name of 4-(4-aminophenyl)butanoic acid (CID 27049) is 4-(4-aminophenyl)butanoic acid.
What is the SMILES notation for 4-(4-aminophenyl)butanoic acid?
The canonical SMILES for 4-(4-aminophenyl)butanoic acid is Nc1ccc(CCCC(=O)O)cc1.
What is the InChIKey of 4-(4-aminophenyl)butanoic acid?
The InChIKey is RBHLFWNKEWLHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3,11H2,(H,12,13).
What are the key properties of 4-(4-aminophenyl)butanoic acid?
4-(4-aminophenyl)butanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)butanoic acid is sourced from PubChem (CID 27049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).