methyl 6-aminospiro[3.3]heptane-2-carboxylate hydrochloride

• ChemBase ID: 281172
• Molecular Formular: C9H16ClNO2
• Molecular Mass: 205.68184
• Monoisotopic Mass: 205.08695644
• SMILES: C12(CC(C(=O)OC)C1)CC(C2)N.Cl
• Canonical SMILES: COC(=O)C1CC2(C1)CC(C2)N.Cl
• InChI: InChI=1S/C9H15NO2.ClH/c1-12-8(11)6-2-9(3-6)4-7(10)5-9;/h6-7H,2-5,10H2,1H3;1H
• InChIKey: YPGLGGXSCLUQOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-aminospiro[3.3]heptane-2-carboxylate hydrochloride
• IUPAC Traditional name: methyl 6-aminospiro[3.3]heptane-2-carboxylate hydrochloride
• Synonyms: methyl 6-aminospiro[3.3]heptane-2-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD11099890
• PubChem SID: 180666703
• PubChem CID: 43810935

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8029616
• LogD (pH = 7.4): -2.3889086
• Log P: 0.22122188
• Molar Refractivity: 44.5625 cm^3
• Polarizability: 18.148947 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.019

Product Information

• Purity: 95%
• Salt Data: HCl