Basic information
- CAS
5336-42-5- Standard SMILES
CCOC(=O)C1CN(C)C(=O)C1=O- InChIKey
QPNRXESHQABUCD-UHFFFAOYSA-N- Molecular formula
- C8H11NO4
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.06880783
Names & identifiers
- Preferred name
- Ethyl 1-methyl-4,5-dioxopyrrolidine-3-carboxylate
- IUPAC
- ethyl 1-methyl-4,5-dioxopyrrolidine-3-carboxylate
- English name
- ethyl 1-Methyl-4,5-dioxopyrrolidine-3-carboxylate
- Molecular formula
- C8H11NO4
- Molecular weight
- 185.18
Names & synonyms
ethyl 1-methyl-4,5-dioxopyrrolidine-3-carboxylate5336-42-5ethyl 1-methyl-4,5-dioxo-3-pyrrolidinecarboxylateNSC326SCHEMBL1613761DTXSID10276996NSC-3261-METHYL-4, ETHYL ESTERDB-3078954-carbethoxy-2,3-dioxo-1-methylpyrrolidine3-Pyrrolidinecarboxylic acid, 1-methyl-4,5-dioxo-, ethyl ester
Database identifiers
- CAS
5336-42-5- PubChem CID
- 219263
- DTXSID
DTXSID10276996
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 268.4 · 268.4±50.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 7.93 · 7.93±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海摩纹医药科技有限公司13681854265 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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