TL;DR: 2-{2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl}cyclopropane-1-carboxylic acid (CAS 1242837-78-0) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl)cyclopropane-1-carboxylic acid
Also Known As: 2-{2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl}cyclopropane-1-carboxylic acid, 2-(2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl)cyclopropane-1-carboxylic acid, 2-(2-methyl1-oxa-4-azaspiro[4.4]nonane-4-carbonyl)cyclopropane-1-carboxylic Acid, 2-(8-methyl-9-oxa-6-azaspiro[4.4]nonane-6-carbonyl)cyclopropane-1-carboxylic acid
| Molecular Formula | C13H19NO4 |
| Molecular Weight | 253.13141 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.13141 Da |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
| SMILES | CC1CN(C2(O1)CCCC2)C(=O)C3CC3C(=O)O |
| InChIKey | AWKGZJNYXNZZGV-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl}cyclopropane-1-carboxylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl}cyclopropane-1-carboxylic acid. Following Lipinski's Rule of Five, 2-{2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl}cyclopropane-1-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl}cyclopropane-1-carboxylic acid is 1242837-78-0.
The molecular formula of 2-{2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl}cyclopropane-1-carboxylic acid is C13H19NO4.
The molecular weight of 2-{2-methyl-1-oxa-4-azaspiro[4.4]nonane-4-carbonyl}cyclopropane-1-carboxylic acid is 253.13141 g/mol.
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