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

Structure

InChI Key MFUPLHQOVIUESQ-UHFFFAOYSA-N
Smiles Cl.COC(=O)CCC(N)C(=O)OC
InChI
InChI=1/C7H13NO4.ClH/c1-11-6(9)4-3-5(8)7(10)12-2;/h5H,3-4,8H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14ClNO4
Molecular Weight 211.06
AlogP -0.14
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 78.62
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 23150-65-4
NORMAN SUSDAT