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

• ChemBase ID: 809729
• Molecular Formular: C16H17NO2
• Molecular Mass: 255.31168
• Monoisotopic Mass: 255.12592879
• SMILES: C(=O)([C@@H](CCc1ccccc1c1ccccc1)N)O
• Canonical SMILES: OC(=O)[C@@H](CCc1ccccc1c1ccccc1)N
• InChI: InChI=1S/C16H17NO2/c17-15(16(18)19)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m1/s1
• InChIKey: NXZFLCADEKRKMC-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• Acid pKa: 2.6365535
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.90726686
• LogD (pH = 7.4): 0.9046668
• Log P: 0.9075189
• Molar Refractivity: 74.8535 cm^3
• Polarizability: 30.727152 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%