| CAS Number | 1334492-51-1 |
| Catalog Number | AG01AF0P |
| Chemical Name | 1-(1-(tert-Butoxycarbonyl)piperidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]triazole-4-carboxylic acid |
| InChI | InChI=1S/C13H20N4O4/c1-13(2,3)21-12(20)16-6-4-5-9(7-16)17-8-10(11(18)19)14-15-17/h8-9H,4-7H2,1-3H3,(H,18,19) |
| InChI Key | VREJDCMJBHJZIE-UHFFFAOYSA-N |
| MDL Number | MFCD20232459 |
| Molecular Formula | C13H20N4O4 |
| Molecular Weight | 296.3223 |
| SMILES | CC(OC(N1CC(N2N=NC(C(O)=O)=C2)CCC1)=O)(C)C |
| Synonyms | 1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-1,2,3-triazole-4-carboxylic acid,
1334492-51-1,
1-(1-(tert-Butoxycarbonyl)piperidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid,
AKOS027450515,
Z1879342536,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.148455g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.32g/mol |
| Monoisotopic Mass | 296.148455g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number