Basic information
- CAS
64700-65-8- Standard SMILES
COC(=O)[C@H]1CCC(=O)N1- InChIKey
HQGPKMSGXAUKHT-SCSAIBSYSA-N- Molecular formula
- C6H9NO3
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.05824315
Overview
L-5-oxoproline methyl ester is an alpha-amino acid ester.
Names & identifiers
- Preferred name
- (R)-Methyl 5-oxopyrrolidine-2-carboxylate
- IUPAC
- methyl (2R)-5-oxopyrrolidine-2-carboxylate
- English name
- (-)-D-Pyroglutamic acid methyl ester
- Molecular formula
- C6H9NO3
- Molecular weight
- 143.14
Names & synonyms
64700-65-8(R)-Methyl 5-oxopyrrolidine-2-carboxylatemethyl (2R)-5-oxopyrrolidine-2-carboxylateMethyl (R)-2-pyrrolidone-5-carboxylateMETHYL D-PYROGLUTAMATEH-D-PYR-OMED-Proline, 5-oxo-, methyl esterMFCD01318621METHYL (R)-PYROGLUTAMATEMethyl (R)-5-oxopyrrolidine-2-carboxylateMETHYL (R)-(-)-2-PYRROLIDINONE-5-CARBOXYLATE(-)-D-PYROGLUTAMIC ACID METHYL ESTER
Show more names
Methyl (R)-(-)-2-pyrrolidinoneMethyl D-Pyroglutamate,99%e.e.
Methyl (R)-5-oxopyrrolidine-2-carboxylate hydrochloride835915-17-8(R)-5-(Methoxycarbonyl)-2-pyrrolidinone;(R)-Methyl 2-pyrrolidone-5-carboxylateMethyl (R)-5-oxopyrrolidine-2-carboxylate; Methyl (R)-pyroglutamatemethyl R-pyroglutamateD-PYROGLUTAMIC ACID METHYL ESTER(R)-PYROGLUTAMIC ACID METHYL ESTERD-PYR-OME5-Oxo-d-proline methyl ester
Database identifiers
- CAS
64700-65-8- PubChem CID
- 385461
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 83 ℃/0.25mm · 83℃/0.25mm
- Density
- 1.226 · 1.226
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Dichloromethane
- form
- Oil
- pka
- 14.65 · 14.65±0.40(Predicted)
- color
- Clear
- Sensitive
- Moisture Sensitive
- 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
- InChIKey
- HQGPKMSGXAUKHT-SCSAIBSYSA-N
- SMILES
- C(OC)(=O)[C@H]1CCC(=O)N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2922500090 · 2922500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2922500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(R)-Methyl 5-Oxopyrrolidine-2-carboxylate, is a building block used in various chemical synthesis such as in preparation of phenylpropiolic acid derivatives as novel GPR40 agonists.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers68 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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