TL;DR: (1R,2S)-2-({[2-(tert-butylsulfanyl)ethyl]amino}carbonyl)cyclopropanecarboxylic acid (CAS 1371977-93-3) is a chemical compound with molecular formula C11H19NO3S and molecular weight 245.10857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-tert-butylsulfanylethylcarbamoyl)cyclopropane-1-carboxylic acid
Also Known As: (1R,2S)-2-({[2-(tert-butylsulfanyl)ethyl]amino}carbonyl)cyclopropanecarboxylic acid, 2-(2-tert-butylsulfanylethylcarbamoyl)cyclopropane-1-carboxylic Acid
| Molecular Formula | C11H19NO3S |
| Molecular Weight | 245.10857 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.10857 Da |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
| SMILES | CC(C)(C)SCCNC(=O)C1CC1C(=O)O |
| InChIKey | NDKBLRFRBGWKTG-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2S)-2-({[2-(tert-butylsulfanyl)ethyl]amino}carbonyl)cyclopropanecarboxylic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,2S)-2-({[2-(tert-butylsulfanyl)ethyl]amino}carbonyl)cyclopropanecarboxylic acid. Following Lipinski's Rule of Five, (1R,2S)-2-({[2-(tert-butylsulfanyl)ethyl]amino}carbonyl)cyclopropanecarboxylic acid has 2 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 (1R,2S)-2-({[2-(tert-butylsulfanyl)ethyl]amino}carbonyl)cyclopropanecarboxylic acid is 1371977-93-3.
The molecular formula of (1R,2S)-2-({[2-(tert-butylsulfanyl)ethyl]amino}carbonyl)cyclopropanecarboxylic acid is C11H19NO3S.
The molecular weight of (1R,2S)-2-({[2-(tert-butylsulfanyl)ethyl]amino}carbonyl)cyclopropanecarboxylic acid is 245.10857 g/mol.
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