TL;DR: 3-(Dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentanecarboxylic acid (CAS 1212198-32-7) is a chemical compound with molecular formula C12H20INO3 and molecular weight 353.0488 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentane-1-carboxylic acid
Also Known As: AB01331317-02, 3-(dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentanecarboxylic acid, (1S,2R)-3-(dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentanecarboxylic acid, 3-(dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethyl-cyclopentane-1-carboxylic Acid, 3-(dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentane-1-carboxylic acid
| Molecular Formula | C12H20INO3 |
| Molecular Weight | 353.0488 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.0488 Da |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
| SMILES | CC1(CCC(C1(C)CI)C(=O)N(C)C)C(=O)O |
| InChIKey | QVZLRUVLDDIRGR-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentanecarboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 3-(Dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentanecarboxylic 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 3-(Dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentanecarboxylic acid is 1212198-32-7.
The molecular formula of 3-(Dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentanecarboxylic acid is C12H20INO3.
The molecular weight of 3-(Dimethylcarbamoyl)-2-(iodomethyl)-1,2-dimethylcyclopentanecarboxylic acid is 353.0488 g/mol.
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