2-cyclopropyl-2-hydroxyacetamide

• ChemBase ID: 236609
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: C1(CC1)C(C(=O)N)O
• Canonical SMILES: OC(C(=O)N)C1CC1
• InChI: InChI=1S/C5H9NO2/c6-5(8)4(7)3-1-2-3/h3-4,7H,1-2H2,(H2,6,8)
• InChIKey: AFVRPRNKXFHHPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-2-hydroxyacetamide
• IUPAC Traditional name: 2-cyclopropyl-2-hydroxyacetamide
• Synonyms: 2-cyclopropyl-2-hydroxyacetamide

Database IDs

• MDL Number: MFCD16694196
• PubChem SID: 164292519
• PubChem CID: 60150330

CALCULATED PROPERTIES

• Acid pKa: 12.948529
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8550028
• LogD (pH = 7.4): -0.855004
• Log P: -0.8550028
• Molar Refractivity: 27.8554 cm^3
• Polarizability: 11.098675 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): -0.823

Product Information

• Purity: 95%