2-(cyclopentylcarbamoyl)acetic acid

• ChemBase ID: 308448
• Molecular Formular: C8H13NO3
• Molecular Mass: 171.19372
• Monoisotopic Mass: 171.08954328
• SMILES: C(=O)(CC(=O)O)NC1CCCC1
• Canonical SMILES: O=C(CC(=O)O)NC1CCCC1
• InChI: InChI=1S/C8H13NO3/c10-7(5-8(11)12)9-6-3-1-2-4-6/h6H,1-5H2,(H,9,10)(H,11,12)
• InChIKey: WMEGWEATYIRZAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylcarbamoyl)acetic acid
• IUPAC Traditional name: 2-(cyclopentylcarbamoyl)acetic acid
• Synonyms: 3-(cyclopentylamino)-3-oxopropanoic acid

Database IDs

• CAS Number: 1060817-51-7
• MDL Number: MFCD11053975

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9278587
• LogD (pH = 7.4): -2.6279469
• Log P: 0.44031805
• Molar Refractivity: 42.1199 cm^3
• Polarizability: 16.539392 Å^3
• Polar Surface Area: 66.4 Å^2