3-amino-N-cyclopentylpropanamide

• ChemBase ID: 262229
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(NC1CCCC1)CCN
• Canonical SMILES: NCCC(=O)NC1CCCC1
• InChI: InChI=1S/C8H16N2O/c9-6-5-8(11)10-7-3-1-2-4-7/h7H,1-6,9H2,(H,10,11)
• InChIKey: CYRXLURCHTWKSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-cyclopentylpropanamide
• IUPAC Traditional name: 3-amino-N-cyclopentylpropanamide
• Synonyms: 3-amino-N-cyclopentylpropanamide

Database IDs

• MDL Number: MFCD09726122
• PubChem SID: 164318139
• PubChem CID: 16784389

CALCULATED PROPERTIES

• Acid pKa: 16.138758
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0731304
• LogD (pH = 7.4): -1.8505766
• Log P: -0.1390275
• Molar Refractivity: 43.8349 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.141

Product Information

• Purity: 95%