methyl 2-amino-2-methyl-3,3-diphenylpropanoate

• ChemBase ID: 277058
• Molecular Formular: C17H19NO2
• Molecular Mass: 269.33826
• Monoisotopic Mass: 269.14157885
• SMILES: C(C(=O)OC)(C(c1ccccc1)c1ccccc1)(N)C
• Canonical SMILES: COC(=O)C(C(c1ccccc1)c1ccccc1)(N)C
• InChI: InChI=1S/C17H19NO2/c1-17(18,16(19)20-2)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,18H2,1-2H3
• InChIKey: HPBPTLCJOFTQLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-methyl-3,3-diphenylpropanoate
• IUPAC Traditional name: methyl 2-amino-2-methyl-3,3-diphenylpropanoate
• Synonyms: methyl 2-amino-2-methyl-3,3-diphenylpropanoate

Database IDs

• MDL Number: MFCD19686306
• PubChem SID: 164332968
• PubChem CID: 54594472

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4801208
• LogD (pH = 7.4): 2.948551
• Log P: 3.1550517
• Molar Refractivity: 79.1653 cm^3
• Polarizability: 31.439114 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 2.726

Product Information

• Purity: 95%