2-(cyclopropylamino)acetamide

• ChemBase ID: 240712
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: C1(CC1)NCC(=O)N
• Canonical SMILES: NC(=O)CNC1CC1
• InChI: InChI=1S/C5H10N2O/c6-5(8)3-7-4-1-2-4/h4,7H,1-3H2,(H2,6,8)
• InChIKey: PCVOBSZOJJBJJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylamino)acetamide
• IUPAC Traditional name: 2-(cyclopropylamino)acetamide
• Synonyms: 2-(cyclopropylamino)acetamide

Database IDs

• MDL Number: MFCD09814605
• PubChem SID: 164296622
• PubChem CID: 23510270

CALCULATED PROPERTIES

• Acid pKa: 16.372387
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.90196
• LogD (pH = 7.4): -2.2491546
• Log P: -1.0562732
• Molar Refractivity: 29.8114 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.946

Product Information

• Purity: 95%