Methyl 4-hydroxy-5-oxopyrrolidine-2-carboxylate
PubChem CID: 54154956
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| Compound Synonyms | METHYL 4-HYDROXY-5-OXOPYRROLIDINE-2-CARBOXYLATE, 51163-88-3, trans-Methyl 4-hydroxy-5-oxopyrrolidine-2-carboxylate, SCHEMBL23677559, MFCD28956426, SB34421, SY249467 |
|---|---|
| Topological Polar Surface Area | 75.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 4-hydroxy-5-oxopyrrolidine-2-carboxylate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Is Pains | False |
| Molecular Formula | C6H9NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OKJQBJHYKVHRIS-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Methyl 4-hydroxy-5-oxopyrrolidine-2-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 159.053 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 159.053 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 159.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.07097419999999988 |
| Inchi | InChI=1S/C6H9NO4/c1-11-6(10)3-2-4(8)5(9)7-3/h3-4,8H,2H2,1H3,(H,7,9) |
| Smiles | COC(=O)C1CC(C(=O)N1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pseudostellaria Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients