5-oxo-D-prolinate
PubChem CID: 7043982
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| Compound Synonyms | 5-oxo-D-prolinate, (2R)-5-oxopyrrolidine-2-carboxylate, 5-oxo-D-prolinate anion, 5-oxo-D-prolinate(1-), CHEBI:57948, Q27125074 |
|---|---|
| Topological Polar Surface Area | 69.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-5-oxopyrrolidine-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C5H6NO3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODHCTXKNWHHXJC-GSVOUGTGSA-M |
| Fcsp3 | 0.6 |
| Logs | -0.802 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.137 |
| Compound Name | 5-oxo-D-prolinate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.035 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 128.035 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 128.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2910633999999998 |
| Inchi | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m1/s1 |
| Smiles | C1CC(=O)N[C@H]1C(=O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ceratonia Siliqua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Geum Urbanum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phyllanthus Reticulatus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rheum Maximowiczii (Plant) Rel Props:Source_db:cmaup_ingredients