Structure

InChI Key ZGXJTSGNIOSYLO-UHFFFAOYSA-N
Smiles NCC(=O)CCC(=O)O
InChI
InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9NO3
Molecular Weight 131.13
AlogP -0.62
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 80.39
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 31-102

Cross References

Resources Reference
ChEBI 356416
ChEMBL CHEMBL601
DrugBank DB00855
DrugCentral 166
FDA SRS 88755TAZ87
Human Metabolome Database HMDB0001149
Guide to Pharmacology 4784
KEGG C00430
PDB FVT
PharmGKB PA10015
PubChem 137
SureChEMBL SCHEMBL8243
ZINC ZINC000003782550