| CAS Number | 882029-13-2 |
| Catalog Number | AG003Q5R(AGN-PC-0VJUCL) |
| Chemical Name | Ethyl 3-(2-trimethylacetamido-3-pyridyl)acrylate |
| IUPAC Name | ethyl (E)-3-[2-(2,2-dimethylpropanoylamino)pyridin-3-yl]prop-2-enoate |
| InChI | InChI=1S/C15H20N2O3/c1-5-20-12(18)9-8-11-7-6-10-16-13(11)17-14(19)15(2,3)4/h6-10H,5H2,1-4H3,(H,16,17,19)/b9-8+ |
| InChI Key | FRJWOJJLXVTBCQ-CMDGGOBGSA-N |
| MDL Number | MFCD07781145 |
| Molecular Formula | C15H20N2O3 |
| Molecular Weight | 276.3309 |
| SMILES | CCOC(=O)/C=C/c1cccnc1NC(=O)C(C)(C)C |
| Synonyms | 882029-13-2,
Ethyl 3-(2-trimethylacetamido-3-pyridyl)acrylate,
Ethyl 3-(2-pivaloylamino-3-pyridyl)acrylate,
MFCD07781145,
Ethyl (2E)-3-[2-(2,2-Dimethylpropanamido)Pyridin-3-Yl]Prop-2-Enoate,
AC1Q31Q2,
ZINC14807201,
RTR-027682,
TR-027682,
ST50826642,
2-(Pivaloylamino)pyridine-3-acrylic acid ethyl ester,
ETHYL 3-[(2-PIVALOYLAMINO)PYRIDIN-3-YL]ACRYLATE,
3-(2-Trimethylacetamido-3-pyridyl)acrylic acid ethyl ester,
ethyl (2E)-3-[2-(2,2-dimethylpropanoylamino)(3-pyridyl)]prop-2-enoate,
2-Propenoic acid,3-[2-[(2,2-dimethyl-1-oxopropyl)amino]-3-pyridinyl]-,ethyl ester,
ETHYL3-[ PYRIDINE-3-YL]ACRYLATE,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 276.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.336g/mol |
| Monoisotopic Mass | 276.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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