| CAS Number | 1705585-22-3 |
| Catalog Number | AG01DI3Q |
| Chemical Name | Ethyl 2,2-dimethyl-5-oxopyrrolidine-3-carboxylate |
| IUPAC Name | ethyl 2,2-dimethyl-5-oxopyrrolidine-3-carboxylate |
| InChI | InChI=1S/C9H15NO3/c1-4-13-8(12)6-5-7(11)10-9(6,2)3/h6H,4-5H2,1-3H3,(H,10,11) |
| InChI Key | RTJMCQIURDNLKS-UHFFFAOYSA-N |
| MDL Number | MFCD24570453 |
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.2203 |
| SMILES | CCOC(C1C(C)(C)NC(=O)C1)=O |
| Synonyms | 1705585-22-3,
ethyl2,2-dimethyl-5-oxopyrrolidine-3-carboxylate,
Ethyl 2,2-dimethyl-5-oxopyrrolidine-3-carboxylate,
SCHEMBL16671193,
RTJMCQIURDNLKS-UHFFFAOYSA-N,
ethyl 2,2-dimethyl-5-oxo-pyrrolidine-3-carboxylate,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.223g/mol |
| Monoisotopic Mass | 185.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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