2-acetamido-2-(3-phenylphenyl)acetic acid

• ChemBase ID: 801405
• Molecular Formular: C16H15NO3
• Molecular Mass: 269.2952
• Monoisotopic Mass: 269.10519335
• SMILES: C(C(=O)O)(c1cccc(c1)c1ccccc1)NC(=O)C
• Canonical SMILES: CC(=O)NC(c1cccc(c1)c1ccccc1)C(=O)O
• InChI: InChI=1S/C16H15NO3/c1-11(18)17-15(16(19)20)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-10,15H,1H3,(H,17,18)(H,19,20)
• InChIKey: OQWKMNYWILGKOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-acetamido-2-(3-phenylphenyl)acetic acid
• IUPAC Traditional name: acetamido(3-phenylphenyl)acetic acid
• Synonyms: (ACETYLAMINO)(1,1'-BIPHENYL-3-YL)ACETIC ACID

CALCULATED PROPERTIES

• Acid pKa: 4.0889025
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8306876
• LogD (pH = 7.4): -0.85085636
• Log P: 2.2550259
• Molar Refractivity: 74.9413 cm^3
• Polarizability: 30.354956 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%