tert-butyl 3-(cyclopropylamino)azetidine-1-carboxylate

• ChemBase ID: 293072
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: O=C(N1CC(NC2CC2)C1)OC(C)(C)C
• Canonical SMILES: O=C(N1CC(C1)NC1CC1)OC(C)(C)C
• InChI: InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-9(7-13)12-8-4-5-8/h8-9,12H,4-7H2,1-3H3
• InChIKey: HWISGVCRMIUTMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(cyclopropylamino)azetidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(cyclopropylamino)azetidine-1-carboxylate
• Synonyms: tert-Butyl 3-(cyclopropylamino)azetidine-1-carboxylate

Database IDs

• CAS Number: 1342433-96-8
• MDL Number: MFCD18326835
• PubChem SID: 180678603
• PubChem CID: 63302750

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7724792
• LogD (pH = 7.4): -0.12332528
• Log P: 1.0797179
• Molar Refractivity: 57.3253 cm^3
• Polarizability: 22.96912 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%