Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50920123

Structure

InChI Key WIFPJDJJFUSIFP-UHFFFAOYSA-N
Smiles OCC(O)C(O)CN
InChI
InChI=1/C4H11NO3/c5-1-3(7)4(8)2-6/h3-4,6-8H,1-2,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11NO3
Molecular Weight 121.07
AlogP -2.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 86.71
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 90847-51-1
NORMAN SUSDAT
PubChem 3021735