3-amino-N-cyclopentylpropanamide hydrochloride

• ChemBase ID: 49569
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(NC1CCCC1)CCN.Cl
• Canonical SMILES: NCCC(=O)NC1CCCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c9-6-5-8(11)10-7-3-1-2-4-7;/h7H,1-6,9H2,(H,10,11);1H
• InChIKey: HMVVCXPJYJKXFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562545
• PubChem SID: 162054332
• PubChem CID: 53409685

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false