Structure

InChI Key WHUUTDBJXJRKMK-VKHMYHEASA-N
Smile N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9NO4
Molecular Weight 147.13
AlogP -0.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 100.62
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
None Nutritional support DailyMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sleep Wake Disorders 3 D012893 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 56-86-0
ChEBI 16015
ChEMBL CHEMBL575060
DrugBank DB00142
DrugCentral 1310
EPA CompTox DTXSID5020659
FDA SRS 3KX376GY7L
Human Metabolome Database HMDB0000148
Guide to Pharmacology 1369
KEGG C00025
PDB GGL
PharmGKB PA449776
PubChem 33032
SureChEMBL SCHEMBL2202
ZINC ZINC000001482113