| CAS Number | 1823296-56-5 |
| Catalog Number | AG01C5UN |
| Chemical Name | 2-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-4-methyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C15H22N2O4S/c1-9-11(13(18)19)22-12(16-9)10-6-5-7-17(8-10)14(20)21-15(2,3)4/h10H,5-8H2,1-4H3,(H,18,19) |
| InChI Key | XVQDBDZNBNVCLL-UHFFFAOYSA-N |
| MDL Number | MFCD20924906 |
| Molecular Formula | C15H22N2O4S |
| Molecular Weight | 326.4112 |
| SMILES | CC1=C(C(O)=O)SC(C2CN(C(OC(C)(C)C)=O)CCC2)=N1 |
| Synonyms | AKOS026706500,
F1907-0711,
2-(1-(tert-butoxycarbonyl)piperidin-3-yl)-4-methylthiazole-5-carboxylic acid,
1823296-56-5,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.411g/mol |
| Monoisotopic Mass | 326.13g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number