3-(2-amino-4-phenylphenyl)propanoic acid

C15H15NO2 — CID 67367473

IUPAC3-(2-amino-4-phenylphenyl)propanoic acid
SMILESNc1cc(-c2ccccc2)ccc1CCC(=O)O
InChIInChI=1S/C15H15NO2/c16-14-10-13(11-4-2-1-3-5-11)7-6-12(14)8-9-15(17)18/h1-7,10H,8-9,16H2,(H,17,18)
InChIKeySRVFNAGUKBJJAQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.95
Rot. Bonds4

About 3-(2-amino-4-phenylphenyl)propanoic acid

3-(2-amino-4-phenylphenyl)propanoic acid (PubChem CID 67367473) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(2-amino-4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-4-phenylphenyl)propanoic acid
PubChem CID67367473
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-(2-amino-4-phenylphenyl)propanoic acid
SMILESNc1cc(-c2ccccc2)ccc1CCC(=O)O
InChIInChI=1S/C15H15NO2/c16-14-10-13(11-4-2-1-3-5-11)7-6-12(14)8-9-15(17)18/h1-7,10H,8-9,16H2,(H,17,18)
InChIKeySRVFNAGUKBJJAQ-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'}

Analyze 3-(2-amino-4-phenylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phenyl-2-propylaniline
CID 165495824
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid
CID 66864173
2-[2-(aminomethyl)-5-phenylphenyl]acetic acid
CID 67211965
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid
CID 155213141
CID 159681351
CID 159681351
3-[4-(carboxymethyl)naphthalen-1-yl]propanoic acid
CID 118899420
3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115003999
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
3-(2-amino-3-hydroxyphenyl)propanoic acid
CID 131073372
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-phenylphenyl)propanoic acid?
The IUPAC name of 3-(2-amino-4-phenylphenyl)propanoic acid (CID 67367473) is 3-(2-amino-4-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-amino-4-phenylphenyl)propanoic acid?
The canonical SMILES for 3-(2-amino-4-phenylphenyl)propanoic acid is Nc1cc(-c2ccccc2)ccc1CCC(=O)O.
What is the InChIKey of 3-(2-amino-4-phenylphenyl)propanoic acid?
The InChIKey is SRVFNAGUKBJJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-14-10-13(11-4-2-1-3-5-11)7-6-12(14)8-9-15(17)18/h1-7,10H,8-9,16H2,(H,17,18).
What are the key properties of 3-(2-amino-4-phenylphenyl)propanoic acid?
3-(2-amino-4-phenylphenyl)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-(2-amino-4-phenylphenyl)propanoic acid is sourced from PubChem (CID 67367473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).