3-(3-aminophenyl)benzoic acid

C13H11NO2 — CID 2772299

IUPAC3-(3-aminophenyl)benzoic acid
SMILESNc1cccc(-c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C13H11NO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,14H2,(H,15,16)
InChIKeyRQKFSJNOPKCEJI-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.63
Rot. Bonds2

About 3-(3-aminophenyl)benzoic acid

3-(3-aminophenyl)benzoic acid (PubChem CID 2772299) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(3-aminophenyl)benzoic acid.

Molecular Properties

Compound Name3-(3-aminophenyl)benzoic acid
PubChem CID2772299
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-(3-aminophenyl)benzoic acid
SMILESNc1cccc(-c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C13H11NO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,14H2,(H,15,16)
InChIKeyRQKFSJNOPKCEJI-UHFFFAOYSA-N
XLogP2.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-aminophenyl)benzoic 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-(3-aminophenyl)benzoic acid?
The IUPAC name of 3-(3-aminophenyl)benzoic acid (CID 2772299) is 3-(3-aminophenyl)benzoic acid.
What is the SMILES notation for 3-(3-aminophenyl)benzoic acid?
The canonical SMILES for 3-(3-aminophenyl)benzoic acid is Nc1cccc(-c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-(3-aminophenyl)benzoic acid?
The InChIKey is RQKFSJNOPKCEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,14H2,(H,15,16).
What are the key properties of 3-(3-aminophenyl)benzoic acid?
3-(3-aminophenyl)benzoic acid has a molecular weight of 213.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)benzoic acid is sourced from PubChem (CID 2772299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).