Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9FOK073U22
EPA CompTox DTXSID50955339

Structure

InChI Key TVHCXXXXQNWQLP-UHFFFAOYSA-N
Smiles COC(=O)C(N)C(C)O
InChI
InChI=1S/C5H11NO3/c1-3(7)4(6)5(8)9-2/h3-4,7H,6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O3
Molecular Weight 133.07
AlogP -1.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 72.55
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 3373-59-9
NORMAN SUSDAT
FDA SRS 9FOK073U22
PubChem 324007
ChemSpider 286957.0