Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID10186980

Structure

InChI Key WHKKNTASOQMDMH-YKXIHYLHSA-N
Smiles Cl.CCOC(=O)C(N)C(C)O
InChI
InChI=1S/C6H13NO3/c1-3-10-6(9)5(7)4(2)8/h4-5,8H,3,7H2,1-2H3/t4-,5-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O3
Molecular Weight 147.09
AlogP -0.74
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 72.55
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 33368-36-4
NORMAN SUSDAT
PubChem 20848852
ChemSpider 15696228.0