2-aminocyclopentane-1-carboxylic acid

• ChemBase ID: 275494
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C1(C(=O)O)C(N)CCC1
• Canonical SMILES: NC1CCCC1C(=O)O
• InChI: InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)
• InChIKey: JWYOAMOZLZXDER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminocyclopentane-1-carboxylic acid
• IUPAC Traditional name: 2-aminocyclopentane-1-carboxylic acid
• Synonyms: 2-aminocyclopentane-1-carboxylic acid

Database IDs

• MDL Number: MFCD01735323
• PubChem SID: 164331404
• PubChem CID: 429614

CALCULATED PROPERTIES

• Acid pKa: 4.0617466
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1675172
• LogD (pH = 7.4): -2.155075
• Log P: -2.155163
• Molar Refractivity: 32.4179 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.3

Product Information

• Purity: 95%