(2S)-2-amino-2-(3-phenylphenyl)acetic acid

• ChemBase ID: 809233
• Molecular Formular: C14H13NO2
• Molecular Mass: 227.25852
• Monoisotopic Mass: 227.09462866
• SMILES: [C@@H](C(=O)O)(c1cc(ccc1)c1ccccc1)N
• Canonical SMILES: OC(=O)[C@H](c1cccc(c1)c1ccccc1)N
• InChI: InChI=1S/C14H13NO2/c15-13(14(16)17)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H,15H2,(H,16,17)/t13-/m0/s1
• InChIKey: BICOWRKGXJLEAM-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-2-(3-phenylphenyl)acetic acid
• IUPAC Traditional name: (S)-amino(3-phenylphenyl)acetic acid
• Synonyms: (2S)-2-AMINO-2-(3-PHENYLPHENYL)ACETIC ACID

CALCULATED PROPERTIES

• Acid pKa: 2.4798458
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.17673506
• LogD (pH = 7.4): 0.16135837
• Log P: 0.1765288
• Molar Refractivity: 65.4975 cm^3
• Polarizability: 27.029186 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%