ethyl (2R)-5-oxopyrrolidine-2-carboxylate
PubChem CID: 643508
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| Compound Synonyms | 68766-96-1, D-Pyroglutamic acid ethyl ester, (R)-ETHYL 5-OXOPYRROLIDINE-2-CARBOXYLATE, ethyl (2R)-5-oxopyrrolidine-2-carboxylate, H-D-PYR-OET, D-proline, 5-oxo-, ethyl ester, Ethyl (R)-(-)-2-pyrrolidone-5-carboxylate, (R)-(-)-5-Ethylcarboxyl-2-pyrrolidinone, MFCD00010848, ethyl (R)-5-oxopyrrolidine-2-carboxylate, D-PyrOEt, Ethyl (R)-(?)-2-pyrrolidone-5-carboxylate, D-Pyr-OEt, ethyl 5-oxo-D-prolinate, D-Pyroglutamic ethyl ester, SCHEMBL80480, 5-Oxo-D-proline Ethyl Ester, QYJOOVQLTTVTJY-RXMQYKEDSA-N, AKOS005256916, CS-W002063, (R)-ethyl 5-oxopyrrolidin-2-carboxylate, ethyl(R)-5-oxopyrrolidine-2-carboxylate, BP-12289, DS-15313, (R)-ethyl 5-oxo-pyrrolidine-2-carboxylate, DB-007460, Ethyl(R)-(-)-2-pyrrolidone-5-carboxylate, EN300-2989562, 5-Oxo-2-pyrrolidine-carboxylic acid, ethyl ester, (R)-5-Oxopyrrolidine-2-carboxylic Acid Ethyl Ester, Ethyl (R)-(-)-2-pyrrolidone-5-carboxylate, 98%, (R)-5-oxo-pyrrolidine-2-carboxylic acid ethyl ester, 5-Oxo-D-proline Ethyl Ester, (R)-5-Oxopyrrolidine-2-carboxylic Acid Ethyl Ester, , D-Pyroglutamic acid ethyl ester, puriss., >=99.0% (sum of enantiomers, HPLC), 898-267-9, InChI=1/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s |
|---|---|
| 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 | 1.0 |
| Iupac Name | ethyl (2R)-5-oxopyrrolidine-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C7H11NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QYJOOVQLTTVTJY-RXMQYKEDSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.106 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.76 |
| Compound Name | ethyl (2R)-5-oxopyrrolidine-2-carboxylate |
| 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)/t5-/m1/s1 |
| Smiles | CCOC(=O)[C@H]1CCC(=O)N1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients