Ethyl 5-oxo-DL-prolinate
PubChem CID: 98047
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| Compound Synonyms | 66183-71-9, Ethyl 5-oxo-DL-prolinate, ethyl 5-oxopyrrolidine-2-carboxylate, ethyl dl-pyroglutamate, ethyl 5-oxoprolinate, 5-ETHYLCARBOXYL-2-PYRROLIDINONE, Ethyl D-(-)-pyroglutamate, MFCD00062673, ETHYL PCA, NSC-72279, NSC-166529, NSC72279, EINECS 266-226-9, EthylDL-pyroglutamate, NCIOpen2_000435, SCHEMBL815103, proline, 5-oxo-, ethyl ester, 5-ethoxycarbonyl-2-pyrrolidinone, DTXSID00984674, ethyl 2-pyrrolidone-5-carboxylate, ALBB-024582, BCP27376, ethyl 2-oxopyrrolidine-5-carboxylate, NSC166529, STL432330, AKOS003392005, AKOS017258899, D-(-)-Pyroglutamic Acid Ethyl Ester, SB23085, Ethyl 5-oxo-2-pyrrolidinecarboxylate #, 5-ETHOXYLCARBONYL-2-PYRROLIDINONE, DA-03810, LS-13298, SY023258, SY023259, SY060258, CS-0148328, NS00013666, 5-oxo-pyrrolidine-2-carboxylic acid ethyl ester, 2-Pyrrolidinecarboxylic acid-5-oxo-, ethyl ester, Ethyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate, F9995-1010 |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 5-oxopyrrolidine-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C7H11NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QYJOOVQLTTVTJY-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.106 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.76 |
| Compound Name | Ethyl 5-oxo-DL-prolinate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 157.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 157.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7739478 |
| Inchi | InChI=1S/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9) |
| Smiles | CCOC(=O)C1CCC(=O)N1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Source_db:cmaup_ingredients