TL;DR: 5-[(2,3-Dimethylcyclohexyl)amino]-5-oxopentanoic acid (CAS 1005146-61-1) is a chemical compound with molecular formula C13H23NO3 and molecular weight 241.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2,3-dimethylcyclohexyl)amino]-5-oxopentanoic acid
Also Known As: starbld0047449, 5-[(2,3-dimethylcyclohexyl)amino]-5-oxopentanoic acid, 4-[(2,3-dimethylcyclohexyl)carbamoyl]butanoic Acid, 5-((2,3-Dimethylcyclohexyl)amino)-5-oxopentanoic acid, 5-[(2,3-dimethylcyclohexyl)amino]-5-oxo-pentanoic acid
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.1678 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.1678 Da |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
| SMILES | CC1CCCC(C1C)NC(=O)CCCC(=O)O |
| InChIKey | NIRDHFACMWVWAA-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2,3-Dimethylcyclohexyl)amino]-5-oxopentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2,3-Dimethylcyclohexyl)amino]-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-[(2,3-Dimethylcyclohexyl)amino]-5-oxopentanoic acid has 2 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 5-[(2,3-Dimethylcyclohexyl)amino]-5-oxopentanoic acid is 1005146-61-1.
The molecular formula of 5-[(2,3-Dimethylcyclohexyl)amino]-5-oxopentanoic acid is C13H23NO3.
The molecular weight of 5-[(2,3-Dimethylcyclohexyl)amino]-5-oxopentanoic acid is 241.1678 g/mol.
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