| CAS Number | 100911-29-3 |
| Catalog Number | AG00H9DI(AGN-PC-01GBBP) |
| Chemical Name | Methyl 1-ethyl-5-oxopyrrolidine-3-carboxylate |
| IUPAC Name | methyl 1-ethyl-5-oxopyrrolidine-3-carboxylate |
| InChI | InChI=1S/C8H13NO3/c1-3-9-5-6(4-7(9)10)8(11)12-2/h6H,3-5H2,1-2H3 |
| InChI Key | YGAROMNNYOLXKI-UHFFFAOYSA-N |
| MDL Number | MFCD08752836 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | CCN1C(=O)CC(C(OC)=O)C1 |
| Synonyms | methyl 1-ethyl-5-oxopyrrolidine-3-carboxylate,
100911-29-3,
MFCD08752836,
1-Ethyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester,
3-Pyrrolidinecarboxylic acid, 1-ethyl-5-oxo-, methyl ester,
SCHEMBL3140082,
BBL021677,
STK894393,
AKOS005144215,
MCULE-7507561942,
DB-032218,
EN300-80782,
K-0199,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number