N-{3-azabicyclo[3.1.0]hexan-6-yl}-N-tert-butylcarbamate

• ChemBase ID: 799744
• Molecular Formular: C10H17N2O2-
• Molecular Mass: 197.25418
• Monoisotopic Mass: 197.12900279
• SMILES: N(C(=O)[O-])(C1C2CNCC12)C(C)(C)C
• Canonical SMILES: [O-]C(=O)N(C(C)(C)C)C1C2C1CNC2
• InChI: InChI=1S/C10H18N2O2/c1-10(2,3)12(9(13)14)8-6-4-11-5-7(6)8/h6-8,11H,4-5H2,1-3H3,(H,13,14)/p-1
• InChIKey: RUKXFAUCVGATCX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-azabicyclo[3.1.0]hexan-6-yl}-N-tert-butylcarbamate
• IUPAC Traditional name: N-{3-azabicyclo[3.1.0]hexan-6-yl}-N-tert-butylcarbamate
• Synonyms: tert-butyl -3-azabicyclo[3.1.0]hexan-6-ylcarbamate

CALCULATED PROPERTIES

• Acid pKa: 4.0889397
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.291191
• LogD (pH = 7.4): -2.2778287
• Log P: -2.2780046
• Molar Refractivity: 63.7415 cm^3
• Polarizability: 20.773321 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%