Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID701003252

Structure

InChI Key RXRVCSDDGFQDOJ-UHFFFAOYSA-N
Smiles O=C1OC(CO)CN1C(C)C
InChI
InChI=1/C7H13NO3/c1-5(2)8-3-6(4-9)11-7(8)10/h5-6,9H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13NO3
Molecular Weight 159.09
AlogP 0.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 49.77
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 83277-30-9
NORMAN SUSDAT
PubChem 2793992