TL;DR: 2-[(4-Hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid (CAS 1059732-17-0) is a chemical compound with molecular formula C8H15NO5S and molecular weight 237.0671 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid
Also Known As: 2-(4-Hydroxy-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-butyric acid, 1-Benzylpiperidin-3-ol hydrochloride, 8278AC, BAS 03320844, 2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid
| Molecular Formula | C8H15NO5S |
| Molecular Weight | 237.0671 g/mol |
| XLogP | -3.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.0671 Da |
| Heavy Atoms | 15 |
| Complexity | 333.0 |
| SMILES | CCC(C(=O)O)NC1CS(=O)(=O)CC1O |
| InChIKey | BSZFUFJEQWHURV-UHFFFAOYSA-N |
The XLogP value of -3.4 indicates that 2-[(4-Hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid. Following Lipinski's Rule of Five, 2-[(4-Hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(4-Hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid is 1059732-17-0.
The molecular formula of 2-[(4-Hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid is C8H15NO5S.
The molecular weight of 2-[(4-Hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid is 237.0671 g/mol.
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