methyl 2-azabicyclo[3.1.0]hexane-1-carboxylate

• ChemBase ID: 254036
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: C12(CC1CCN2)C(=O)OC
• Canonical SMILES: COC(=O)C12NCCC2C1
• InChI: InChI=1S/C7H11NO2/c1-10-6(9)7-4-5(7)2-3-8-7/h5,8H,2-4H2,1H3
• InChIKey: LZKGHFYTMJOLSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-azabicyclo[3.1.0]hexane-1-carboxylate
• IUPAC Traditional name: methyl 2-azabicyclo[3.1.0]hexane-1-carboxylate
• Synonyms: methyl 2-azabicyclo[3.1.0]hexane-1-carboxylate

Database IDs

• PubChem SID: 164309946
• PubChem CID: 69225143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6140035
• LogD (pH = 7.4): -0.17060918
• Log P: 0.016150521
• Molar Refractivity: 35.5381 cm^3
• Polarizability: 14.480451 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%