TL;DR: (1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (CAS 127379-23-1) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
Also Known As: Anhydroecgonine, Ecgonidine, Anhydro Ecgonine, (+/-)-Ecgonidine, Ecgonine, derivative of
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.09464 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.09464 Da |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
| SMILES | CN1C2CCC1C(=CC2)C(=O)O |
| InChIKey | HZGRVVUQEIBCMS-UHFFFAOYSA-N |
The XLogP value of -1.5 indicates that (1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, (1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is 127379-23-1.
The molecular formula of (1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is C9H13NO2.
The molecular weight of (1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is 167.09464 g/mol.
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