3-Pyrrolidinecarboxylic acid, 2,4-dioxo-, methyl ester
Basic information
- CAS
51925-57-6- Standard SMILES
COC(=O)C1C(=O)CNC1=O- InChIKey
GQEDOGKXSMQIRV-UHFFFAOYSA-N- Molecular formula
- C6H7NO4
- Average molar mass
- 157.12 g/mol
- Monoisotopic mass
- 157.0375077
Names & identifiers
- Preferred name
- 3-Pyrrolidinecarboxylic acid, 2,4-dioxo-, methyl ester
- IUPAC
- methyl 2,4-dioxopyrrolidine-3-carboxylate
- English name
- 2,4-dioxo-3-Pyrrolidinecarboxylic acid Methyl ester
- Molecular formula
- C6H7NO4
- Molecular weight
- 157.12
Names & synonyms
51925-57-63-Pyrrolidinecarboxylic acid, 2,4-dioxo-, methyl esterRefChem:282458methyl 2,4-dioxopyrrolidine-3-carboxylateMFCD216026022,4-DIOXO-3-PYRROLIDINECARBOXYLIC ACID METHYL ESTERMethyl 2,4-dioxo-3-pyrrolidinecarboxylateSCHEMBL2786795DTXSID501211778BCA92557AKOS024015533SB40727
Show more names
methyl2,4-dioxopyrrolidine-3-carboxylateSY099131DB-187729CS-0049188Methyl 2,4-dioxo-3-pyrrolidinecarboxylate #EN300-97174F12532Z1309460085
Database identifiers
- CAS
51925-57-6- PubChem CID
- 533986
- DTXSID
DTXSID501211778
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 390 · 390.0±42.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 10.15 · 10.15±0.20(Predicted)
- Appearance
- light yellow solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
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Related reactions
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Compound notes
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