Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80232983

Structure

InChI Key TVTJWRDQBQQKIX-RQJHMYQMSA-N
Smiles CCOC(=O)N1CCC(N)C(O)C1
InChI
InChI=1S/C8H16N2O3/c1-2-13-8(12)10-4-3-6(9)7(11)5-10/h6-7,11H,2-5,9H2,1H3/t6-,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16N2O3
Molecular Weight 188.12
AlogP -0.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 75.79
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 84100-53-8
NORMAN SUSDAT
PubChem 21149598
ChemSpider 2286796.0