2-aminocyclopentane-1-carboxamide

• ChemBase ID: 282797
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C1(C(=O)N)C(N)CCC1
• Canonical SMILES: NC1CCCC1C(=O)N
• InChI: InChI=1S/C6H12N2O/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H2,8,9)
• InChIKey: FUGFTUCRJJFPES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminocyclopentane-1-carboxamide
• IUPAC Traditional name: 2-aminocyclopentane-1-carboxamide
• Synonyms: 2-aminocyclopentane-1-carboxamide

Database IDs

• MDL Number: MFCD12024749
• PubChem SID: 180668328
• PubChem CID: 14865626

CALCULATED PROPERTIES

• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 16.636112
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6770785
• LogD (pH = 7.4): -2.6663024
• Log P: -0.6990476
• Molar Refractivity: 34.2401 cm^3
• Polarizability: 13.794192 Å^3

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): -0.711

Product Information

• Purity: 95%