2-phenyl-2-(phenylamino)propanoic acid

• ChemBase ID: 310464
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(C(=O)O)(Nc1ccccc1)(c1ccccc1)C
• Canonical SMILES: OC(=O)C(c1ccccc1)(Nc1ccccc1)C
• InChI: InChI=1S/C15H15NO2/c1-15(14(17)18,12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11,16H,1H3,(H,17,18)
• InChIKey: AAEHCOPCHOUPLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-2-(phenylamino)propanoic acid
• IUPAC Traditional name: 2-phenyl-2-(phenylamino)propanoic acid
• Synonyms: N,2-diphenylalanine

Database IDs

• CAS Number: 2825-64-1
• MDL Number: MFCD05228551

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0925393
• LogD (pH = 7.4): 0.36234602
• Log P: 3.2932026
• Molar Refractivity: 71.4076 cm^3
• Polarizability: 27.094784 Å^3
• Polar Surface Area: 49.33 Å^2