2-(N,1-diphenylformamido)acetic acid

• ChemBase ID: 246471
• Molecular Formular: C15H13NO3
• Molecular Mass: 255.26862
• Monoisotopic Mass: 255.08954328
• SMILES: C(=O)(N(CC(=O)O)c1ccccc1)c1ccccc1
• Canonical SMILES: OC(=O)CN(C(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H13NO3/c17-14(18)11-16(13-9-5-2-6-10-13)15(19)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18)
• InChIKey: NHWGJPPIJZCZBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(N,1-diphenylformamido)acetic acid
• IUPAC Traditional name: (N,1-diphenylformamido)acetic acid
• Synonyms: 2-(N,1-diphenylformamido)acetic acid

Database IDs

• MDL Number: MFCD01861478
• PubChem SID: 164302381
• PubChem CID: 11021467

CALCULATED PROPERTIES

• Acid pKa: 3.852819
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7559796
• LogD (pH = 7.4): -0.83014727
• Log P: 2.40718
• Molar Refractivity: 70.792 cm^3
• Polarizability: 27.12878 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.286

Product Information

• Purity: 95%