(R)-Methyl 5-oxopyrrolidine-2-carboxylate
PubChem CID: 385461
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| Compound Synonyms | 64700-65-8, (R)-Methyl 5-oxopyrrolidine-2-carboxylate, methyl (2R)-5-oxopyrrolidine-2-carboxylate, Methyl (R)-2-pyrrolidone-5-carboxylate, METHYL (R)-(-)-2-PYRROLIDINONE-5-CARBOXYLATE, L-5-oxoproline methyl ester, Methyl (R)-5-oxopyrrolidine-2-carboxylate, H-D-PYR-OME, MFCD01318621, D-Proline, 5-oxo-, methyl ester, Methyl(R)-2-pyrrolidone-5-carboxylate, (D)-Pyroglutamic acid methyl ester, (R)-5-(Methoxycarbonyl)-2-pyrrolidinone, (R)-Methyl 2-pyrrolidone-5-carboxylateMethyl (R)-5-oxopyrrolidine-2-carboxylate, Methyl (R)-pyroglutamate, (-)-D-PYROGLUTAMIC ACID METHYL ESTER, SCHEMBL475421, SCHEMBL24664101, CHEBI:214712, HQGPKMSGXAUKHT-SCSAIBSYSA-N, AB3989, AKOS016843270, AS-7023, D-PYROGLUTAMIC ACID METHYL ESTER, AC-31333, Methyl (R)-2-oxopyrrolidine-5-carboxylate, CS-0097285 |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (2R)-5-oxopyrrolidine-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C6H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HQGPKMSGXAUKHT-SCSAIBSYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -1.067 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.45 |
| Compound Name | (R)-Methyl 5-oxopyrrolidine-2-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 143.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 143.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 143.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5261804000000002 |
| Inchi | InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1 |
| Smiles | COC(=O)[C@H]1CCC(=O)N1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hydrangea Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients