3-[4-(3-aminophenyl)phenyl]propanoic acid

C15H15NO2 — CID 1393561

IUPAC3-[4-(3-aminophenyl)phenyl]propanoic acid
SMILESNc1cccc(-c2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C15H15NO2/c16-14-3-1-2-13(10-14)12-7-4-11(5-8-12)6-9-15(17)18/h1-5,7-8,10H,6,9,16H2,(H,17,18)
InChIKeyHQVSGXWMYLJPJJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.95
Rot. Bonds4

About 3-[4-(3-aminophenyl)phenyl]propanoic acid

3-[4-(3-aminophenyl)phenyl]propanoic acid (PubChem CID 1393561) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[4-(3-aminophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-aminophenyl)phenyl]propanoic acid
PubChem CID1393561
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-[4-(3-aminophenyl)phenyl]propanoic acid
SMILESNc1cccc(-c2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C15H15NO2/c16-14-3-1-2-13(10-14)12-7-4-11(5-8-12)6-9-15(17)18/h1-5,7-8,10H,6,9,16H2,(H,17,18)
InChIKeyHQVSGXWMYLJPJJ-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-[4-(3-aminophenyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(3-aminophenyl)phenyl]propanoic acid (CID 1393561) is 3-[4-(3-aminophenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(3-aminophenyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(3-aminophenyl)phenyl]propanoic acid is Nc1cccc(-c2ccc(CCC(=O)O)cc2)c1.
What is the InChIKey of 3-[4-(3-aminophenyl)phenyl]propanoic acid?
The InChIKey is HQVSGXWMYLJPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-14-3-1-2-13(10-14)12-7-4-11(5-8-12)6-9-15(17)18/h1-5,7-8,10H,6,9,16H2,(H,17,18).
What are the key properties of 3-[4-(3-aminophenyl)phenyl]propanoic acid?
3-[4-(3-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-[4-(3-aminophenyl)phenyl]propanoic acid is sourced from PubChem (CID 1393561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).