N-(azetidin-3-yl)cyclobutanecarboxamide

• ChemBase ID: 50414
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: C(=O)(NC1CNC1)C1CCC1
• Canonical SMILES: O=C(C1CCC1)NC1CNC1
• InChI: InChI=1S/C8H14N2O/c11-8(6-2-1-3-6)10-7-4-9-5-7/h6-7,9H,1-5H2,(H,10,11)
• InChIKey: OEPQLGXNHWNVRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(azetidin-3-yl)cyclobutanecarboxamide
• IUPAC Traditional name: N-(azetidin-3-yl)cyclobutanecarboxamide
• Synonyms: N-(3-Azetidinyl)cyclobutanecarboxamide

Database IDs

• MDL Number: MFCD13562988
• PubChem SID: 162055177
• PubChem CID: 53410705

CALCULATED PROPERTIES

• Acid pKa: 15.782266
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1494105
• LogD (pH = 7.4): -1.7763449
• Log P: -0.058408663
• Molar Refractivity: 41.7884 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false