3-(cyclopentylamino)propanamide

• ChemBase ID: 24419
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(CCNC1CCCC1)N
• Canonical SMILES: NC(=O)CCNC1CCCC1
• InChI: InChI=1S/C8H16N2O/c9-8(11)5-6-10-7-3-1-2-4-7/h7,10H,1-6H2,(H2,9,11)
• InChIKey: PPINGHWYXMRULB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentylamino)propanamide
• IUPAC Traditional name: 3-(cyclopentylamino)propanamide
• Synonyms: 3-(Cyclopentylamino)propanamide

Database IDs

• MDL Number: MFCD10687314
• PubChem SID: 160987726
• PubChem CID: 18349113

CALCULATED PROPERTIES

• Acid pKa: 16.828318
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1484685
• LogD (pH = 7.4): -2.4365916
• Log P: 0.06987683
• Molar Refractivity: 43.7128 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false