| CAS Number | 2031268-69-4 |
| Catalog Number | AG01B27X |
| Chemical Name | 2-(3-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)-2-methylpropanoic acid |
| IUPAC Name | 2-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]propanoic acid |
| InChI | InChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)13-8-6-7-15(14-8)12(4,5)9(16)17/h6-7H,1-5H3,(H,16,17)(H,13,14,18) |
| InChI Key | VTIKXWMYUQDFHB-UHFFFAOYSA-N |
| MDL Number | MFCD30344730 |
| Molecular Formula | C12H19N3O4 |
| Molecular Weight | 269.297 |
| SMILES | CC(OC(NC1=NN(C(C(O)=O)(C)C)C=C1)=O)(C)C |
| Synonyms | 2-(3-{[(tert-butoxy)carbonyl]amino}-1H-pyrazol-1-yl)-2-methylpropanoic acid,
2031268-69-4,
AKOS033949330,
ZINC521398715,
Z2588063778,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.301g/mol |
| Monoisotopic Mass | 269.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number