3-aminocyclobutane-1-carboxamide

• ChemBase ID: 235589
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: NC1CC(C1)C(=O)N
• Canonical SMILES: NC1CC(C1)C(=O)N
• InChI: InChI=1S/C5H10N2O/c6-4-1-3(2-4)5(7)8/h3-4H,1-2,6H2,(H2,7,8)
• InChIKey: FABRNCRSZARATD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminocyclobutane-1-carboxamide
• IUPAC Traditional name: 3-aminocyclobutane-1-carboxamide
• Synonyms: 3-aminocyclobutanecarboxamide

Database IDs

• MDL Number: MFCD19215743
• PubChem SID: 164291499
• PubChem CID: 12815116

CALCULATED PROPERTIES

• Acid pKa: 16.565538
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.3181553
• LogD (pH = 7.4): -3.76591
• Log P: -1.2995237
• Molar Refractivity: 29.7931 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.776

Product Information

• Purity: 95%