Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M37WWB82KT
EPA CompTox DTXSID40145565

Structure

InChI Key NFZKOWUWFGTZQQ-UHFFFAOYSA-N
Smiles OCCOC(=O)N(CO)CO
InChI
InChI=1S/C5H11NO5/c7-1-2-11-5(10)6(3-8)4-9/h7-9H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O5
Molecular Weight 165.06
AlogP -1.68
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 90.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 10290-96-7
NORMAN SUSDAT
FDA SRS M37WWB82KT
PubChem 82522
ChemSpider 74474.0