3-(cyclopentylformamido)butanoic acid

• ChemBase ID: 268843
• Molecular Formular: C10H17NO3
• Molecular Mass: 199.24688
• Monoisotopic Mass: 199.12084341
• SMILES: C(=O)(NC(CC(=O)O)C)C1CCCC1
• Canonical SMILES: CC(CC(=O)O)NC(=O)C1CCCC1
• InChI: InChI=1S/C10H17NO3/c1-7(6-9(12)13)11-10(14)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
• InChIKey: IDKCQGQZFMIZCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentylformamido)butanoic acid
• IUPAC Traditional name: 3-(cyclopentylformamido)butanoic acid
• Synonyms: 3-(cyclopentylformamido)butanoic acid

Database IDs

• MDL Number: MFCD11647081
• PubChem SID: 164324753
• PubChem CID: 43240636

CALCULATED PROPERTIES

• Acid pKa: 4.616721
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.058185317
• LogD (pH = 7.4): -1.7184494
• Log P: 0.9938924
• Molar Refractivity: 51.1666 cm^3
• Polarizability: 20.189966 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.798

Product Information

• Purity: 95%