1-hydroxycyclobutane-1-carboxamide

• ChemBase ID: 246783
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: C(=O)(C1(O)CCC1)N
• Canonical SMILES: NC(=O)C1(O)CCC1
• InChI: InChI=1S/C5H9NO2/c6-4(7)5(8)2-1-3-5/h8H,1-3H2,(H2,6,7)
• InChIKey: CYRHDKDHDLUODS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydroxycyclobutane-1-carboxamide
• IUPAC Traditional name: 1-hydroxycyclobutane-1-carboxamide
• Synonyms: 1-hydroxycyclobutane-1-carboxamide

Database IDs

• MDL Number: MFCD16744863
• PubChem SID: 164302693
• PubChem CID: 62389822

CALCULATED PROPERTIES

• Acid pKa: 12.950423
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.70925605
• LogD (pH = 7.4): -0.70925725
• Log P: -0.70925605
• Molar Refractivity: 28.0201 cm^3
• Polarizability: 11.098675 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.763

Product Information

• Purity: 95%