| CAS Number | 1240527-75-6 |
| Catalog Number | AG01A9D5 |
| Chemical Name | 1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid |
| InChI | InChI=1S/C14H22N4O4/c1-9-11(12(19)20)15-16-18(9)10-5-7-17(8-6-10)13(21)22-14(2,3)4/h10H,5-8H2,1-4H3,(H,19,20) |
| InChI Key | ZJLZPWSCQSEPDE-UHFFFAOYSA-N |
| MDL Number | MFCD16547726 |
| Molecular Formula | C14H22N4O4 |
| Molecular Weight | 310.3489 |
| SMILES | Cc1c(nnn1C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O |
| Synonyms | 1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-5-methyl-1H-1,2,3-triazole-4-carboxylic acid,
1240527-75-6,
1-(1-(tert-Butoxycarbonyl)piperidin-4-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid,
AC1Q2FO4,
ZINC47844246,
AKOS027449651,
MCULE-4463824100,
NE23674,
EN300-64752,
Z1259161922,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.354g/mol |
| Monoisotopic Mass | 310.164g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number