ethyl 2-[(5s,7s)-2,5,7-trimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl]acetate

• ChemBase ID: 185331
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: C1(N2C[C@]3(C(=O)[C@](CN1C3)(C2)C)C)(CC(=O)OCC)C
• Canonical SMILES: CCOC(=O)CC1(C)N2C[C@@]3(CN1C[C@](C2)(C3=O)C)C
• InChI: InChI=1S/C15H24N2O3/c1-5-20-11(18)6-15(4)16-7-13(2)8-17(15)10-14(3,9-16)12(13)19/h5-10H2,1-4H3/t13-,14+,15?
• InChIKey: RPEQRBKDDHIJOC-YIONKMFJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(5s,7s)-2,5,7-trimethyl-6-oxo-1,3-diazatricyclo[3.3.1.1^3,^7]decan-2-yl]acetate
• IUPAC Traditional name: ethyl 2-[(1r,5R,7S)-2,5,7-trimethyl-6-oxo-1,3-diazatricyclo[3.3.1.1^3,^7]decan-2-yl]acetate

Database IDs

• PubChem SID: 164241241
• PubChem CID: 777129

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.89548665
• LogD (pH = 7.4): 1.6316954
• Log P: 1.6570292
• Molar Refractivity: 75.7215 cm^3
• Polarizability: 30.074884 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds