2-(cyclopentylamino)acetamide

• ChemBase ID: 258518
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(CNC1CCCC1)N
• Canonical SMILES: NC(=O)CNC1CCCC1
• InChI: InChI=1S/C7H14N2O/c8-7(10)5-9-6-3-1-2-4-6/h6,9H,1-5H2,(H2,8,10)
• InChIKey: JTBBPRCNRPLJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09050736
• PubChem SID: 164314428
• PubChem CID: 16778257

CALCULATED PROPERTIES

• Acid pKa: 16.539211
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2660024
• LogD (pH = 7.4): -1.9111297
• Log P: -0.16713591
• Molar Refractivity: 39.0134 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): -0.058

Product Information

• Purity: 95%