5-amino-octahydrocyclopenta[c]pyrrole-5-carboxylic acid dihydrochloride

• ChemBase ID: 280891
• Molecular Formular: C8H16Cl2N2O2
• Molecular Mass: 243.13084
• Monoisotopic Mass: 242.05888312
• SMILES: C1(C(=O)O)(CC2C(C1)CNC2)N.Cl.Cl
• Canonical SMILES: OC(=O)C1(N)CC2C(C1)CNC2.Cl.Cl
• InChI: InChI=1S/C8H14N2O2.2ClH/c9-8(7(11)12)1-5-3-10-4-6(5)2-8;;/h5-6,10H,1-4,9H2,(H,11,12);2*1H
• InChIKey: DSXSLJUONDIRCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-octahydrocyclopenta[c]pyrrole-5-carboxylic acid dihydrochloride
• IUPAC Traditional name: 5-amino-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid dihydrochloride
• Synonyms: 5-aminooctahydrocyclopenta[c]pyrrole-5-carboxylic acid dihydrochloride

Database IDs

• MDL Number: MFCD09971750
• PubChem SID: 180666422
• PubChem CID: 43810898

CALCULATED PROPERTIES

• Acid pKa: 2.4004927
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -6.344113
• LogD (pH = 7.4): -5.6243033
• Log P: -3.4571347
• Molar Refractivity: 43.4278 cm^3
• Polarizability: 17.597128 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.566

Product Information

• Purity: 95%