Basic information
- CAS
63891-87-2- Standard SMILES
CCOC(=O)C1NC(=O)C(C)NC1=O- InChIKey
XBGRHEOUJFLHJT-UHFFFAOYSA-N- Molecular formula
- C8H12N2O4
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.07970687
Names & identifiers
- Preferred name
- Ethyl 5-methyl-3,6-dioxopiperazine-2-carboxylate
- IUPAC
- ethyl 5-methyl-3,6-dioxopiperazine-2-carboxylate
Names & synonyms
ethyl 5-methyl-3,6-dioxopiperazine-2-carboxylateNSC37676763891-87-2DTXSID50321494NSC-376767ethyl 5-methyl-3,6-dioxo-piperazine-2-carboxylate
Database identifiers
- CAS
63891-87-2- PubChem CID
- 342003
- DTXSID
DTXSID50321494
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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