TL;DR: 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid (CAS 1043867-42-0) is a chemical compound with molecular formula C9H17NO6S2 and molecular weight 299.04974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid
Also Known As: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanyl-propanoic Acid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid
| Molecular Formula | C9H17NO6S2 |
| Molecular Weight | 299.04974 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.04974 Da |
| Heavy Atoms | 18 |
| Complexity | 406.0 |
| SMILES | CC(C)(C)OC(=O)NC(CSS(=O)(=O)C)C(=O)O |
| InChIKey | LTHCCMQDIJSFSH-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid. The TPSA of 143.0 Ų indicates high polarity, suggesting 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid is 1043867-42-0.
The molecular formula of 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid is C9H17NO6S2.
The molecular weight of 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylsulfanylpropanoic acid is 299.04974 g/mol.
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