Basic information
- CAS
50992-31-9- Standard SMILES
CC(=O)OCCN1CCC(n2ccc(=O)[nH]c2=O)C1=O- InChIKey
KEQOOWAJXPDLFI-UHFFFAOYSA-N- Molecular formula
- C12H15N3O5
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.10117059
Names & identifiers
- Preferred name
- 2-[3-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
- IUPAC
- 2-[3-(2,4-dioxopyrimidin-1-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
Names & synonyms
50992-31-92-[3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-oxopyrrolidin-1-yl]ethyl acetateNSC151826DTXSID50302546NSC-151826
Database identifiers
- CAS
50992-31-9- PubChem CID
- 289641
- DTXSID
DTXSID50302546
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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