Basic information
- Standard SMILES
CCOC(=O)CNc1c(N)c(=O)c1=O- InChIKey
NXTPAKSNVIEBTE-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4
- Average molar mass
- 198.18 g/mol
Names & identifiers
- Preferred name
- N-(2-amino-3,4-dioxo-1-cyclobutenyl)glycine ethyl ester
- IUPAC
- ethyl 2-[(2-amino-3,4-dioxocyclobuten-1-yl)amino]acetate
Names & synonyms
CHEMBL358855SCHEMBL9206669NXTPAKSNVIEBTE-UHFFFAOYSA-NN-(2-amino-3,4-dioxo-1-cyclobutenyl)glycine ethyl ester
Database identifiers
- PubChem CID
- 10035618
- ChEMBL
CHEMBL358855
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 332
Related reactions
2 records
Compound notes
Loading…