Basic information
- CAS
2445-91-2- Standard SMILES
CCOC(=O)C1(C(=O)OCC)NC(=O)CC1C(C)C- InChIKey
GHUDFDQSAFRDJZ-UHFFFAOYSA-N- Molecular formula
- C13H21NO5
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.14197277
Names & identifiers
- Preferred name
- 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester
- IUPAC
- diethyl 5-oxo-3-propan-2-ylpyrrolidine-2,2-dicarboxylate
- English name
- Diethyl=3-isopropyl-5-oxo-2,2-pyrrolidinedicarboxylate
- Molecular formula
- C13H21NO5
- Molecular weight
- 271.31
Names & synonyms
2445-91-22,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl esterRefChem:1059150Diethyl 3-isopropyl-5-oxo-2,2-pyrrolidinedicarboxylateMLS002694464NSC 82080BRN 0486017NSC82080NCIOpen2_0044805-22-07-00145 (Beilstein Handbook Reference)SCHEMBL9803175CHEMBL1895072
Show more names
Diethyl=3-isopropyl-5-oxo-2,2-pyrrolidinedicarboxylate2,2-Pyrrolidinedicarboxylic acid, 3-(1-methylethyl)-5-oxo-, 2,2-diethyl ester
HMS3089I10NSC-820802, 3-isopropyl-5-oxo-, diethyl esterWLN: T5MVTJ DY1&1 EVO2 EVO2SMR001560393
Database identifiers
- CAS
2445-91-2- PubChem CID
- 98137
- ChEMBL
CHEMBL1895072- Nikkaji
- J51.445D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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