Ethyl 5-oxo-L-prolinate
PubChem CID: 2724446
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| Compound Synonyms | 7149-65-7, L-Pyroglutamic acid ethyl ester, Ethyl L-pyroglutamate, ethyl (2S)-5-oxopyrrolidine-2-carboxylate, Ethyl pidolate, (S)-ethyl 5-oxopyrrolidine-2-carboxylate, Ethyl (S)-(+)-2-pyrrolidone-5-carboxylate, Ethyl 5-oxo-L-prolinate, H-Pyr-OEt, (S)-(+)-5-Ethylcarboxyl-2-pyrrolidinone, Ethyl pyroglutamate, (+)-L-Pyroglutamic acid ethyl ester, MFCD00064497, CHEMBL4229168, 1PS59ES316, Ethyl (S)-5-oxopyrrolidine-2-carboxylate, ETHYL PCA, UNII-1PS59ES316, NSC-72279, NSC-166529, EINECS 230-480-9, NSC 72279, NSC 166529, VAMACTIVE 47, pyroglutamic acid ethyl ester, SCHEMBL905284, ETHYL (S)-PYROGLUTAMATE, L-Proline, 5-oxo-, ethyl ester, DTXSID201303392, AC-708, BDBM50460039, Ethyl 5-oxo-2-pyrrolidinecarboxylate, AKOS005259612, AKOS015909837, CS-W020688, DS-1658, ethyl (S)-2-pyrrolidone-5-carboxylate, BP-12288, HY-40269, Ethyl (S)-2-oxopyrolidine-5-carboxylate., DB-005490, ETHYL L-2-PYRROLIDONE-5-CARBOXYLATE, PROLINE, 5-OXO-, ETHYL ESTER, L-, NS00080587, ethyl (s)-(+)-2-pyrrolidinone-5-carboxylate, EN300-185981, ETHYL L-2-OXO-5-PYRROLIDINECARBOXYLATE, P60063, AQ-405/40679537, (S)-(+)-ETHYL 2-PYRROLIDONE-5-CARBOXYLATE, Ethyl (S)-(+)-2-pyrrolidone-5-carboxylate, 98%, (2S)-5-Oxopyrrolidine-2-carboxylic acid ethyl ester, (S)-5-oxo-pyrrolidine-2-carboxylic acid ethyl ester, Q27252722, L-Pyroglutamic acid ethyl ester, puriss., >=98.5% (sum of enantiomers, HPLC) |
|---|---|
| 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 (2S)-5-oxopyrrolidine-2-carboxylate |
| Prediction Hob | 1.0 |
| Target Id | NPT3267 |
| Xlogp | -0.1 |
| Molecular Formula | C7H11NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QYJOOVQLTTVTJY-YFKPBYRVSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.106 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.76 |
| Compound Name | Ethyl 5-oxo-L-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)/t5-/m0/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 Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients