2-amino-2,3-diphenylpropanoic acid

• ChemBase ID: 265200
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(C(=O)O)(Cc1ccccc1)(c1ccccc1)N
• Canonical SMILES: OC(=O)C(c1ccccc1)(Cc1ccccc1)N
• InChI: InChI=1S/C15H15NO2/c16-15(14(17)18,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11,16H2,(H,17,18)
• InChIKey: YMCRTUKBQGPJNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2,3-diphenylpropanoic acid
• IUPAC Traditional name: 2-amino-2,3-diphenylpropanoic acid
• Synonyms: 2-amino-2,3-diphenylpropanoic acid

Database IDs

• MDL Number: MFCD02662655
• PubChem SID: 164321110
• PubChem CID: 411387

CALCULATED PROPERTIES

• Acid pKa: 2.2967465
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6164172
• LogD (pH = 7.4): 0.6079407
• Log P: 0.6163292
• Molar Refractivity: 69.6936 cm^3
• Polarizability: 27.486025 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 264 - 266°C
• Hydrophobicity(logP): 0.439

Product Information

• Purity: 95%