TL;DR: 2-[(5-Oxo-2-pyrrolidinyl)sulfanyl]acetic acid (CAS 106040-00-0) is a chemical compound with molecular formula C6H9NO3S and molecular weight 175.03032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid
Also Known As: Bionet2_000955, 2-[(5-oxo-2-pyrrolidinyl)sulfanyl]acetic acid, 2-[(5-oxopyrrolidin-2-yl)sulfanyl]acetic acid, 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid, [(5-oxo-2-pyrrolidinyl)thio]acetic acid
| Molecular Formula | C6H9NO3S |
| Molecular Weight | 175.03032 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.03032 Da |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
| SMILES | C1CC(=O)NC1SCC(=O)O |
| InChIKey | QOPHSAZRWBCIQA-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Oxo-2-pyrrolidinyl)sulfanyl]acetic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Oxo-2-pyrrolidinyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(5-Oxo-2-pyrrolidinyl)sulfanyl]acetic 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 2-[(5-Oxo-2-pyrrolidinyl)sulfanyl]acetic acid is 106040-00-0.
The molecular formula of 2-[(5-Oxo-2-pyrrolidinyl)sulfanyl]acetic acid is C6H9NO3S.
The molecular weight of 2-[(5-Oxo-2-pyrrolidinyl)sulfanyl]acetic acid is 175.03032 g/mol.
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