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

Structure

InChI Key ZYHAPCXGXNLQDF-UHFFFAOYSA-N
Smiles O=C(OCCCCO)C=C(N)C
InChI
InChI=1/C8H15NO3/c1-7(9)6-8(11)12-5-3-2-4-10/h6,10H,2-5,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15NO3
Molecular Weight 173.11
AlogP 0.16
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 72.55
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 85237-81-6
NORMAN SUSDAT
PubChem 3020578