2-[3-(3-aminophenyl)phenyl]acetic acid

C14H13NO2 — CID 1392894

IUPAC2-[3-(3-aminophenyl)phenyl]acetic acid
SMILESNc1cccc(-c2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C14H13NO2/c15-13-6-2-5-12(9-13)11-4-1-3-10(7-11)8-14(16)17/h1-7,9H,8,15H2,(H,16,17)
InChIKeyWUWAEOOQQHLCRJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.56
Rot. Bonds3

About 2-[3-(3-aminophenyl)phenyl]acetic acid

2-[3-(3-aminophenyl)phenyl]acetic acid (PubChem CID 1392894) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[3-(3-aminophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-aminophenyl)phenyl]acetic acid
PubChem CID1392894
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-[3-(3-aminophenyl)phenyl]acetic acid
SMILESNc1cccc(-c2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C14H13NO2/c15-13-6-2-5-12(9-13)11-4-1-3-10(7-11)8-14(16)17/h1-7,9H,8,15H2,(H,16,17)
InChIKeyWUWAEOOQQHLCRJ-UHFFFAOYSA-N
XLogP2.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminophenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(3-aminophenyl)phenyl]acetic acid (CID 1392894) is 2-[3-(3-aminophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(3-aminophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(3-aminophenyl)phenyl]acetic acid is Nc1cccc(-c2cccc(CC(=O)O)c2)c1.
What is the InChIKey of 2-[3-(3-aminophenyl)phenyl]acetic acid?
The InChIKey is WUWAEOOQQHLCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c15-13-6-2-5-12(9-13)11-4-1-3-10(7-11)8-14(16)17/h1-7,9H,8,15H2,(H,16,17).
What are the key properties of 2-[3-(3-aminophenyl)phenyl]acetic acid?
2-[3-(3-aminophenyl)phenyl]acetic acid has a molecular weight of 227.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminophenyl)phenyl]acetic acid is sourced from PubChem (CID 1392894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).