| CAS Number | 890849-28-2 |
| Catalog Number | AG004088(AGN-PC-0VOGGZ) |
| Chemical Name | 1,1-Dimethylethyl 3-(2-oxoethyl)-1-pyrrolidinecarboxylate |
| IUPAC Name | tert-butyl 3-(2-oxoethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-12)5-7-13/h7,9H,4-6,8H2,1-3H3 |
| InChI Key | XPZCYZRSVIZGRM-UHFFFAOYSA-N |
| MDL Number | MFCD11977329 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | CC(C)(C)OC(=O)N1CCC(C1)CC=O |
| Synonyms | 890849-28-2,
tert-butyl 3-(formylmethyl)pyrrolidine-1-carboxylate,
TERT-BUTYL 3-(2-OXOETHYL)PYRROLIDINE-1-CARBOXYLATE,
1-Pyrrolidinecarboxylicacid, 3-(2-oxoethyl)-, 1,1-dimethylethyl ester,
(S)-tert-Butyl 3-(2-oxoethyl)pyrrolidine-1-carboxylate,
3-(2-oxoethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester,
1374673-90-1,
SCHEMBL1899642,
CTK5G2527,
DTXSID10697021,
XPZCYZRSVIZGRM-UHFFFAOYSA-N,
MFCD11977329,
A843066,
tert-butyl 3-(2-oxidanylideneethyl)pyrrolidine-1-carboxylate,
1-Pyrrolidinecarboxylic acid, 3-(2-oxoethyl)-, 1,1-dimethylethyl ester,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.277g/mol |
| Monoisotopic Mass | 213.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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