2-amino-N-cyclopentylacetamide hydrochloride

• ChemBase ID: 49566
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: C(=O)(NC1CCCC1)CN.Cl
• Canonical SMILES: NCC(=O)NC1CCCC1.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c8-5-7(10)9-6-3-1-2-4-6;/h6H,1-5,8H2,(H,9,10);1H
• InChIKey: KPLHAJPRECQCRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopentylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclopentylacetamide hydrochloride
• Synonyms: 2-Amino-N-cyclopentylacetamide hydrochloride

Database IDs

• MDL Number: MFCD08752575
• PubChem SID: 162054329
• PubChem CID: 47002505

CALCULATED PROPERTIES

• Acid pKa: 15.853894
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8688622
• LogD (pH = 7.4): -1.1856589
• Log P: -0.37604025
• Molar Refractivity: 39.1355 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): -0.133

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%