(1R,9aR)-octahydro-1H-quinolizin-1-ylmethyl cyclopropanecarboxylate

• ChemBase ID: 186763
• Molecular Formular: C14H23NO2
• Molecular Mass: 237.33792
• Monoisotopic Mass: 237.17287898
• SMILES: C1(C(=O)OC[C@H]2[C@@H]3N(CCC2)CCCC3)CC1
• Canonical SMILES: O=C(C1CC1)OC[C@@H]1CCCN2[C@@H]1CCCC2
• InChI: InChI=1S/C14H23NO2/c16-14(11-6-7-11)17-10-12-4-3-9-15-8-2-1-5-13(12)15/h11-13H,1-10H2/t12-,13+/m0/s1
• InChIKey: ZZDCBARIGIEBBD-QWHCGFSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,9aR)-octahydro-1H-quinolizin-1-ylmethyl cyclopropanecarboxylate
• IUPAC Traditional name: (1R,9aR)-octahydro-1H-quinolizin-1-ylmethyl cyclopropanecarboxylate

Database IDs

• PubChem SID: 164242673
• PubChem CID: 11873376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.1785293
• LogD (pH = 7.4): 0.25983652
• Log P: 2.1414413
• Molar Refractivity: 66.7945 cm^3
• Polarizability: 26.619217 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Derivatives & analogs of Natural Compounds