TL;DR: 3-((2-Aminoethyl)disulfanyl)propanoic acid (CAS 15579-00-7) is a chemical compound with molecular formula C5H11NO2S2 and molecular weight 181.02312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-aminoethyldisulfanyl)propanoic acid
Also Known As: Aminoethyl-SS-propionic acid, 3-[(2-Aminoethyl)dithio]propionic Acid, 3-((2-Aminoethyl)disulfanyl)propanoic acid, 3-(2-aminoethyldisulfanyl)propanoic Acid, Propanoic acid, 3-[(2-aminoethyl)dithio]-
| Molecular Formula | C5H11NO2S2 |
| Molecular Weight | 181.02312 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 181.02312 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| SMILES | C(CSSCCN)C(=O)O |
| InChIKey | HMMFDEBVQNRZLJ-UHFFFAOYSA-N |
The XLogP value of -2.8 indicates that 3-((2-Aminoethyl)disulfanyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Aminoethyl)disulfanyl)propanoic acid. Following Lipinski's Rule of Five, 3-((2-Aminoethyl)disulfanyl)propanoic acid has 2 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 3-((2-Aminoethyl)disulfanyl)propanoic acid is 15579-00-7.
The molecular formula of 3-((2-Aminoethyl)disulfanyl)propanoic acid is C5H11NO2S2.
The molecular weight of 3-((2-Aminoethyl)disulfanyl)propanoic acid is 181.02312 g/mol.
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