2'-(butan-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid
Chemical Structure Depiction of
2'-(butan-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid
2'-(butan-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid
Compound characteristics
| Compound ID: | Y040-6505 |
| Compound Name: | 2'-(butan-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid |
| Molecular Weight: | 301.38 |
| Molecular Formula: | C18 H23 N O3 |
| Smiles: | CCC(C)N1C(c2ccccc2C(C(O)=O)C12CCCC2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9889 |
| logD: | 0.2707 |
| logSw: | -3.3056 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.981 |
| InChI Key: | KUMXRUUTBNJLKU-UHFFFAOYSA-N |