TL;DR: 2-[(2-Amino-3-ethoxy-3-oxopropyl)sulfanyl]acetic acid (CAS 1499177-28-4) 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.
2-(2-amino-3-ethoxy-3-oxopropyl)sulfanylacetic acid
Also Known As: 2-[(2-amino-3-ethoxy-3-oxopropyl)sulfanyl]acetic acid, 2-(2-amino-2-ethoxycarbonyl-ethyl)sulfanylacetic Acid
| Molecular Formula | C7H13NO4S |
| Molecular Weight | 207.05653 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 207.05653 Da |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
| SMILES | CCOC(=O)C(CSCC(=O)O)N |
| InChIKey | GSEBGUWGHNRHJH-UHFFFAOYSA-N |
The XLogP value of -2.4 indicates that 2-[(2-Amino-3-ethoxy-3-oxopropyl)sulfanyl]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Amino-3-ethoxy-3-oxopropyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(2-Amino-3-ethoxy-3-oxopropyl)sulfanyl]acetic acid has 2 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-[(2-Amino-3-ethoxy-3-oxopropyl)sulfanyl]acetic acid is 1499177-28-4.
The molecular formula of 2-[(2-Amino-3-ethoxy-3-oxopropyl)sulfanyl]acetic acid is C7H13NO4S.
The molecular weight of 2-[(2-Amino-3-ethoxy-3-oxopropyl)sulfanyl]acetic acid is 207.05653 g/mol.
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