TL;DR: 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1164479-66-6) is a chemical compound with molecular formula C17H22N2O6 and molecular weight 350.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-ethoxycarbonylpiperidin-4-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 3-(1-ethoxycarbonylpiperidin-4-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-(1-ethoxycarbonyl-4-piperidyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-[1-(ETHOXYCARBONYL)PIPERIDIN-4-YL]-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0(1),?]DEC-8-ENE-6-CARBOXYLIC ACID
| Molecular Formula | C17H22N2O6 |
| Molecular Weight | 350.1478 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1478 Da |
| Heavy Atoms | 25 |
| Complexity | 641.0 |
| SMILES | CCOC(=O)N1CCC(CC1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O |
| InChIKey | LAQBVXSPDDEIAL-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. Following Lipinski's Rule of Five, 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 1164479-66-6.
The molecular formula of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is C17H22N2O6.
The molecular weight of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 350.1478 g/mol.
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