methyl N-[2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carbonyl]-beta-alaninate
methyl N-[2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | J105-0052 |
| Compound Name: | methyl N-[2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carbonyl]-beta-alaninate |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C22 H30 N2 O4 |
| Smiles: | CC(C)CN1C(c2ccccc2C(C(NCCC(=O)OC)=O)C12CCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8094 |
| logD: | 2.8094 |
| logSw: | -3.4413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.373 |
| InChI Key: | QBMKBQUQDQDEMJ-IBGZPJMESA-N |