Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40225937

Structure

InChI Key RSZZIJPHQIDLTR-BQBZGAKWSA-N
Smiles OC(=O)C1CCC(=O)N1C(=O)C1CCCN1
InChI
InChI=1S/C10H14N2O4/c13-8-4-3-7(10(15)16)12(8)9(14)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,15,16)/t6-,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O4
Molecular Weight 226.1
AlogP -0.66
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 86.71
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 74976-69-5
NORMAN SUSDAT
PubChem 44148778
ChemSpider 21163052.0