Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40172371

Structure

InChI Key KHDWSPPUGCOVPL-UHFFFAOYSA-N
Smiles CC(=O)N(CN(C=O)C(=O)C)C=O
InChI
InChI=1S/C7H10N2O4/c1-6(12)8(4-10)3-9(5-11)7(2)13/h4-5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O4
Molecular Weight 186.06
AlogP -1.05
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 74.76
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 18962-77-1
NORMAN SUSDAT
PubChem 87870
ChemSpider 79274.0