benzyl N-methyl-N-[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]carbamate

• ChemBase ID: 799858
• Molecular Formular: C16H24N2O2
• Molecular Mass: 276.37396
• Monoisotopic Mass: 276.18377802
• SMILES: N(C(=O)OCc1ccccc1)([C@H](CN1CCCC1)C)C
• Canonical SMILES: C[C@H](N(C(=O)OCc1ccccc1)C)CN1CCCC1
• InChI: InChI=1S/C16H24N2O2/c1-14(12-18-10-6-7-11-18)17(2)16(19)20-13-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3/t14-/m0/s1
• InChIKey: SRLKSFOHRPUQLI-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-methyl-N-[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]carbamate
• IUPAC Traditional name: benzyl N-methyl-N-[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]carbamate
• Synonyms: (S)-Methyl-(1-methyl-2-pyrrolidin-1-yl-ethyl)-carbamic acid benzyl ester

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.5161086
• LogD (pH = 7.4): 1.1411045
• Log P: 2.601845
• Molar Refractivity: 80.4744 cm^3
• Polarizability: 31.437607 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%