octahydrocyclopenta[c]pyrrole-4-carboxylic acid

• ChemBase ID: 277875
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: C1(C(=O)O)C2C(CC1)CNC2
• Canonical SMILES: OC(=O)C1CCC2C1CNC2
• InChI: InChI=1S/C8H13NO2/c10-8(11)6-2-1-5-3-9-4-7(5)6/h5-7,9H,1-4H2,(H,10,11)
• InChIKey: JDDCIGKATQFPDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydrocyclopenta[c]pyrrole-4-carboxylic acid
• IUPAC Traditional name: octahydrocyclopenta[c]pyrrole-4-carboxylic acid
• Synonyms: octahydrocyclopenta[c]pyrrole-4-carboxylic acid

Database IDs

• MDL Number: MFCD19686557
• PubChem SID: 164333785
• PubChem CID: 54594781

CALCULATED PROPERTIES

• Acid pKa: 4.294326
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3467042
• LogD (pH = 7.4): -2.32534
• Log P: -2.3252115
• Molar Refractivity: 40.2163 cm^3
• Polarizability: 16.067627 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.112

Product Information

• Purity: 95%