| CAS Number | 1152634-55-3 |
| Catalog Number | AG019W61(AGN-PC-0WO1QY) |
| Chemical Name | 2-[N-methyl-2-(1H-pyrazol-1-yl)propanamido]acetic acid |
| IUPAC Name | 2-[methyl(2-pyrazol-1-ylpropanoyl)amino]acetic acid |
| InChI | InChI=1S/C9H13N3O3/c1-7(12-5-3-4-10-12)9(15)11(2)6-8(13)14/h3-5,7H,6H2,1-2H3,(H,13,14) |
| InChI Key | VXVZLYYGYPHYNM-UHFFFAOYSA-N |
| MDL Number | MFCD11172743 |
| Molecular Formula | C9H13N3O3 |
| Molecular Weight | 211.2178 |
| SMILES | CC(N1N=CC=C1)C(N(CC(O)=O)C)=O |
| Synonyms | 2-[N-methyl-2-(1H-pyrazol-1-yl)propanamido]acetic acid,
1152634-55-3,
AC1Q2BEB,
CTK7J4677,
AKOS008113503,
MCULE-9672850982,
NE42010,
EN300-50639,
Z1222331840,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.221g/mol |
| Monoisotopic Mass | 211.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number