Structure

InChI Key HJCMDXDYPOUFDY-WHFBIAKZSA-N
Smile C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChI
InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15N3O4
Molecular Weight 217.22
AlogP -1.83
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 135.51
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 15.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 3 D003327 ClinicalTrials
Acute Kidney Injury 3 D058186 ClinicalTrials

Cross References

Resources Reference
ChEBI 74387
ChEMBL CHEMBL3707366
DrugBank DB11876
DrugCentral 4319
EPA CompTox DTXSID20192658
FDA SRS U5JDO2770Z
PubChem 123935
SureChEMBL SCHEMBL133887
ZINC ZINC000002504612