6-azaspiro[2.5]octane-1-carboxylic acid hydrochloride

• ChemBase ID: 55528
• Molecular Formular: C8H14ClNO2
• Molecular Mass: 191.65526
• Monoisotopic Mass: 191.07130637
• SMILES: C12(C(C1)C(=O)O)CCNCC2.Cl
• Canonical SMILES: OC(=O)C1CC21CCNCC2.Cl
• InChI: InChI=1S/C8H13NO2.ClH/c10-7(11)6-5-8(6)1-3-9-4-2-8;/h6,9H,1-5H2,(H,10,11);1H
• InChIKey: VFEIJLDQEVDHOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-azaspiro[2.5]octane-1-carboxylic acid hydrochloride
• IUPAC Traditional name: 6-azaspiro[2.5]octane-1-carboxylic acid hydrochloride
• Synonyms: 6-Azaspiro[2.5]octane-1-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD18071370
• PubChem SID: 162060291
• PubChem CID: 51358290

CALCULATED PROPERTIES

• Acid pKa: 4.3245263
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4909735
• LogD (pH = 7.4): -2.4685571
• Log P: -2.4687347
• Molar Refractivity: 40.2968 cm^3
• Polarizability: 16.067627 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false