Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HXC8XL62VJ
EPA CompTox DTXSID40192099

Structure

InChI Key UPOVSWVIQVHMOK-UHFFFAOYSA-N
Smiles CCOC(=O)N(CO)CO
InChI
InChI=1S/C5H11NO4/c1-2-10-5(9)6(3-7)4-8/h7-8H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O4
Molecular Weight 149.07
AlogP -0.66
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 70.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3883-23-6
NORMAN SUSDAT
FDA SRS HXC8XL62VJ
PubChem 77491
ChemSpider 69900.0