Structure

InChI Key LENZDBCJOHFCAS-UHFFFAOYSA-N
Smile NC(CO)(CO)CO
InChI
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11NO3
Molecular Weight 121.14
AlogP -2.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 86.71
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 8.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cataract 3 D002386 ClinicalTrials
Malaria 3 D008288 ClinicalTrials
Urinary Tract Infections 3 D014552 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Pain 2 D010146 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Cystic Fibrosis 1 D003550 ClinicalTrials

Related Entries

Parent
Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
100.0

Cross References

Resources Reference
CAS NUMBER 77-86-1
ChEBI 9754
ChEMBL CHEMBL1200391
DrugBank DB03754
DrugCentral 2771
EPA CompTox DTXSID2023723
FDA SRS 023C2WHX2V
Human Metabolome Database HMDB0240288
Guide to Pharmacology 7328
KEGG C07182
PubChem 6503
SureChEMBL SCHEMBL975
ZINC ZINC000000896695