Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A869CQF5AT

Structure

InChI Key UFAHZIUFPNSHSL-UHFFFAOYSA-N
Smiles CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N1O4
Molecular Weight 217.13
AlogP -0.85
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 66.43
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 17298-37-2
NORMAN SUSDAT
FDA SRS A869CQF5AT
PubChem 107738
ChemSpider 96904.0