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

C15H15NO2 — CID 1393892

IUPAC3-[3-(2-aminophenyl)phenyl]propanoic acid
SMILESNc1ccccc1-c1cccc(CCC(=O)O)c1
InChIInChI=1S/C15H15NO2/c16-14-7-2-1-6-13(14)12-5-3-4-11(10-12)8-9-15(17)18/h1-7,10H,8-9,16H2,(H,17,18)
InChIKeyUYCMQZHWELAMLG-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.95
Rot. Bonds4

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

3-[3-(2-aminophenyl)phenyl]propanoic acid (PubChem CID 1393892) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[3-(2-aminophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-aminophenyl)phenyl]propanoic acid
PubChem CID1393892
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-[3-(2-aminophenyl)phenyl]propanoic acid
SMILESNc1ccccc1-c1cccc(CCC(=O)O)c1
InChIInChI=1S/C15H15NO2/c16-14-7-2-1-6-13(14)12-5-3-4-11(10-12)8-9-15(17)18/h1-7,10H,8-9,16H2,(H,17,18)
InChIKeyUYCMQZHWELAMLG-UHFFFAOYSA-N
XLogP2.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.95
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 3-[3-(2-aminophenyl)phenyl]propanoic acid?
The IUPAC name of 3-[3-(2-aminophenyl)phenyl]propanoic acid (CID 1393892) is 3-[3-(2-aminophenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(2-aminophenyl)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(2-aminophenyl)phenyl]propanoic acid is Nc1ccccc1-c1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-(2-aminophenyl)phenyl]propanoic acid?
The InChIKey is UYCMQZHWELAMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-14-7-2-1-6-13(14)12-5-3-4-11(10-12)8-9-15(17)18/h1-7,10H,8-9,16H2,(H,17,18).
What are the key properties of 3-[3-(2-aminophenyl)phenyl]propanoic acid?
3-[3-(2-aminophenyl)phenyl]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminophenyl)phenyl]propanoic acid is sourced from PubChem (CID 1393892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).