methyl 1-cyclopropylazetidine-2-carboxylate

• ChemBase ID: 247421
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: N1(C(CC1)C(=O)OC)C1CC1
• Canonical SMILES: COC(=O)C1CCN1C1CC1
• InChI: InChI=1S/C8H13NO2/c1-11-8(10)7-4-5-9(7)6-2-3-6/h6-7H,2-5H2,1H3
• InChIKey: QJDRDCJZKAQCAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-cyclopropylazetidine-2-carboxylate
• IUPAC Traditional name: methyl 1-cyclopropylazetidine-2-carboxylate
• Synonyms: methyl 1-cyclopropylazetidine-2-carboxylate

Database IDs

• PubChem SID: 164303331
• PubChem CID: 4385246

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.60387266
• LogD (pH = 7.4): 0.33506784
• Log P: 0.38000244
• Molar Refractivity: 40.6947 cm^3
• Polarizability: 16.31348 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.668

Product Information

• Purity: 95%