methyl 3-{[(benzyloxy)carbonyl](methyl)amino}-2-methylpropanoate

• ChemBase ID: 275686
• Molecular Formular: C14H19NO4
• Molecular Mass: 265.30496
• Monoisotopic Mass: 265.13140809
• SMILES: C(=O)(N(CC(C(=O)OC)C)C)OCc1ccccc1
• Canonical SMILES: COC(=O)C(CN(C(=O)OCc1ccccc1)C)C
• InChI: InChI=1S/C14H19NO4/c1-11(13(16)18-3)9-15(2)14(17)19-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
• InChIKey: CVTXPRJTGUJKJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-{[(benzyloxy)carbonyl](methyl)amino}-2-methylpropanoate
• IUPAC Traditional name: methyl 3-{[(benzyloxy)carbonyl](methyl)amino}-2-methylpropanoate
• Synonyms: methyl 3-{[(benzyloxy)carbonyl](methyl)amino}-2-methylpropanoate

Database IDs

• MDL Number: MFCD16273759
• PubChem SID: 164331596
• PubChem CID: 54593814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1647043
• LogD (pH = 7.4): 2.1647043
• Log P: 2.1647043
• Molar Refractivity: 70.6231 cm^3
• Polarizability: 27.742153 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.835

Product Information

• Purity: 95%