| CAS Number | 1783603-67-7 |
| Catalog Number | AG01EKQT |
| Chemical Name | 2-{4-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6-thiomorpholin-2-yl}acetic acid |
| IUPAC Name | 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,4-thiazinan-2-yl]acetic acid |
| InChI | InChI=1S/C11H19NO6S/c1-11(2,3)18-10(15)12-4-5-19(16,17)8(7-12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14) |
| InChI Key | ZFZPIEHEEMGHEZ-UHFFFAOYSA-N |
| MDL Number | MFCD28617198 |
| Molecular Formula | C11H19NO6S |
| Molecular Weight | 293.3367 |
| SMILES | CC(OC(N1CC(CC(O)=O)S(=O)(=O)CC1)=O)(C)C |
| Synonyms | AKOS024250126,
2-{4-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6-thiomorpholin-2-yl}acetic acid,
1783603-67-7,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.334g/mol |
| Monoisotopic Mass | 293.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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