(2R)-2-amino-4-(4-phenylphenyl)butanoic acid

• ChemBase ID: 809743
• Molecular Formular: C16H17NO2
• Molecular Mass: 255.31168
• Monoisotopic Mass: 255.12592879
• SMILES: C(=O)([C@@H](CCc1ccc(cc1)c1ccccc1)N)O
• Canonical SMILES: N[C@@H](C(=O)O)CCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C16H17NO2/c17-15(16(18)19)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10,15H,8,11,17H2,(H,18,19)/t15-/m1/s1
• InChIKey: SGAUCIFSHQJLBK-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-4-(4-phenylphenyl)butanoic acid
• IUPAC Traditional name: (2R)-2-amino-4-(4-phenylphenyl)butanoic acid
• Synonyms: (R)-2-AMINO-4-BIPHENYL-4-YL-BUTYRIC ACID

CALCULATED PROPERTIES

• Acid pKa: 2.505176
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9071412
• LogD (pH = 7.4): 0.904414
• Log P: 0.9073052
• Molar Refractivity: 74.8535 cm^3
• Polarizability: 30.726576 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%