6-aminospiro[3.3]heptane-2-carboxylic acid hydrochloride

• ChemBase ID: 281178
• Molecular Formular: C8H14ClNO2
• Molecular Mass: 191.65526
• Monoisotopic Mass: 191.07130637
• SMILES: C12(CC(C(=O)O)C1)CC(C2)N.Cl
• Canonical SMILES: NC1CC2(C1)CC(C2)C(=O)O.Cl
• InChI: InChI=1S/C8H13NO2.ClH/c9-6-3-8(4-6)1-5(2-8)7(10)11;/h5-6H,1-4,9H2,(H,10,11);1H
• InChIKey: URXYZQZGZJONNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminospiro[3.3]heptane-2-carboxylic acid hydrochloride
• IUPAC Traditional name: 6-aminospiro[3.3]heptane-2-carboxylic acid hydrochloride
• Synonyms: 6-aminospiro[3.3]heptane-2-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD11099898
• PubChem SID: 180666709
• PubChem CID: 43810937

CALCULATED PROPERTIES

• Acid pKa: 4.3345466
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.210859
• LogD (pH = 7.4): -2.1880908
• Log P: -2.1881807
• Molar Refractivity: 39.7934 cm^3
• Polarizability: 16.067627 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.665

Product Information

• Purity: 95%
• Salt Data: HCl