Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M2U3OR0E4I
EPA CompTox DTXSID3044625

Structure

InChI Key AGQSGSYOSSBGLI-UHFFFAOYSA-N
Smiles OCCN(CCO)C=O
InChI
InChI=1S/C5H11NO3/c7-3-1-6(5-9)2-4-8/h5,7-8H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O3
Molecular Weight 133.07
AlogP -1.57
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 60.77
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 25209-66-9
NORMAN SUSDAT
FDA SRS M2U3OR0E4I
PubChem 91333
ChemSpider 82346.0