2-amino-2-(4-phenylphenyl)acetic acid

• ChemBase ID: 813142
• Molecular Formular: C14H13NO2
• Molecular Mass: 227.25852
• Monoisotopic Mass: 227.09462866
• SMILES: C(C(=O)O)(c1ccc(cc1)c1ccccc1)N
• Canonical SMILES: OC(=O)C(c1ccc(cc1)c1ccccc1)N
• InChI: InChI=1S/C14H13NO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,15H2,(H,16,17)
• InChIKey: BMWOGALGPJNHSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(4-phenylphenyl)acetic acid
• IUPAC Traditional name: amino(4-phenylphenyl)acetic acid
• Synonyms: AMINO-BIPHENYL-4-YL-ACETIC ACID

Database IDs

• CAS Number: 221101-61-7

CALCULATED PROPERTIES

• Acid pKa: 2.4036472
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.17605695
• LogD (pH = 7.4): 0.16142544
• Log P: 0.17583564
• Molar Refractivity: 65.4975 cm^3
• Polarizability: 27.02884 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%