TL;DR: (2s)-1-(Ethanesulfonyl)pyrrolidine-2-carboxylic acid (CAS 114037-63-7) is a chemical compound with molecular formula C7H13NO4S and molecular weight 207.05653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-ethylsulfonylpyrrolidine-2-carboxylic acid
Also Known As: (Ethylsulfonyl)proline, (2s)-1-(ethanesulfonyl)pyrrolidine-2-carboxylic acid, (2S)-1-(ethylsulfonyl)pyrrolidine-2-carboxylic acid, (2S)-1-ethylsulfonylpyrrolidine-2-carboxylic Acid
| Molecular Formula | C7H13NO4S |
| Molecular Weight | 207.05653 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05653 Da |
| Heavy Atoms | 13 |
| Complexity | 292.0 |
| SMILES | CCS(=O)(=O)N1CCC[C@H]1C(=O)O |
| InChIKey | GGJDUYLRCTXJAW-LURJTMIESA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2s)-1-(Ethanesulfonyl)pyrrolidine-2-carboxylic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2s)-1-(Ethanesulfonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2s)-1-(Ethanesulfonyl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2s)-1-(Ethanesulfonyl)pyrrolidine-2-carboxylic acid is 114037-63-7.
The molecular formula of (2s)-1-(Ethanesulfonyl)pyrrolidine-2-carboxylic acid is C7H13NO4S.
The molecular weight of (2s)-1-(Ethanesulfonyl)pyrrolidine-2-carboxylic acid is 207.05653 g/mol.
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