1-formamidocyclopentane-1-carboxylic acid

• ChemBase ID: 269859
• Molecular Formular: C7H11NO3
• Molecular Mass: 157.16714
• Monoisotopic Mass: 157.07389322
• SMILES: C(=O)(C1(NC=O)CCCC1)O
• Canonical SMILES: O=CNC1(CCCC1)C(=O)O
• InChI: InChI=1S/C7H11NO3/c9-5-8-7(6(10)11)3-1-2-4-7/h5H,1-4H2,(H,8,9)(H,10,11)
• InChIKey: MRJKTMFABJRNJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-formamidocyclopentane-1-carboxylic acid
• IUPAC Traditional name: 1-formamidocyclopentane-1-carboxylic acid
• Synonyms: 1-formamidocyclopentane-1-carboxylic acid

Database IDs

• MDL Number: MFCD14589581
• PubChem SID: 164325769
• PubChem CID: 50990484

CALCULATED PROPERTIES

• Acid pKa: 3.8470836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4512388
• LogD (pH = 7.4): -3.034616
• Log P: 0.20552136
• Molar Refractivity: 37.4097 cm^3
• Polarizability: 14.72032 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 0.207

Product Information

• Purity: 95%