Basic information
- CAS
1001390-61-9- Standard SMILES
CCN1C(=O)CCC1C(=O)OC- InChIKey
ZDOOKTHYXCECDI-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- Methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
- IUPAC
- methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
Names & synonyms
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate1001390-61-9Methyl 1-ethyl-5-oxoprolinateSCHEMBL2576672DTXSID9013005511-Ethyl-5-oxoproline methyl estermethyl1-ethyl-5-oxopyrrolidine-2-carboxylateEN300-718784
Database identifiers
- CAS
1001390-61-9- PubChem CID
- 67459237
- DTXSID
DTXSID901300551
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Related reactions
2 records
Compound notes
Loading…