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

Structure

InChI Key TVHAMVOINIHMEX-UHFFFAOYSA-N
Smiles C1COCCN1CC2CN(C(=O)O2)N
InChI
InChI=1S/C8H15N3O3/c9-11-6-7(14-8(11)12)5-10-1-3-13-4-2-10/h7H,1-6,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15N3O3
Molecular Weight 201.11
AlogP -0.99
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 68.03
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 43056-63-9
NORMAN SUSDAT
PubChem 3016406
ChemSpider 2284354.0