azetidin-3-yl cyclobutanecarboxylate

• ChemBase ID: 45835
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: C(=O)(OC1CNC1)C1CCC1
• Canonical SMILES: O=C(C1CCC1)OC1CNC1
• InChI: InChI=1S/C8H13NO2/c10-8(6-2-1-3-6)11-7-4-9-5-7/h6-7,9H,1-5H2
• InChIKey: VIKHMUWNQWOUFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azetidin-3-yl cyclobutanecarboxylate
• IUPAC Traditional name: azetidin-3-yl cyclobutanecarboxylate
• Synonyms: 3-Azetidinyl cyclobutanecarboxylate

Database IDs

• MDL Number: MFCD13559817
• PubChem SID: 162050598
• PubChem CID: 53409711

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0421183
• LogD (pH = 7.4): -0.3359977
• Log P: 0.6707519
• Molar Refractivity: 39.8386 cm^3
• Polarizability: 16.31348 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false