| CAS Number | 1043384-66-2 |
| Catalog Number | AG01C37K |
| Chemical Name | 1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]triazole-4-carboxylic acid |
| InChI | InChI=1S/C11H18N4O4/c1-11(2,3)19-10(18)12-5-4-6-15-7-8(9(16)17)13-14-15/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17) |
| InChI Key | MMRUFURNFSJYFP-UHFFFAOYSA-N |
| MDL Number | MFCD11098187 |
| Molecular Formula | C11H18N4O4 |
| Molecular Weight | 270.2850 |
| SMILES | CC(OC(NCCCN1N=NC(C(O)=O)=C1)=O)(C)C |
| Synonyms | 1043384-66-2,
1-[3-(tert-butoxycarbonylamino)propyl]triazole-4-carboxylic acid,
1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-1H-1,2,3-triazole-4-carboxylic acid,
1-{3-[(tert-butoxycarbonyl)amino]propyl}-1H-1,2,3-triazole-4-carboxylic acid,
1-(3-((tert-butoxycarbonyl)amino)propyl)-1H-1,2,3-triazole-4-carboxylic acid,
LE002,
STK694767,
ZINC35325548,
AKOS005264304,
MCULE-7991409123,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.289g/mol |
| Monoisotopic Mass | 270.133g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number