Structure

InChI Key WKAVKKUXZAWHDM-UHFFFAOYSA-N
Smile CC(=O)NC(CCC(=O)O)C(=O)O.CN(C)CCO
InChI
InChI=1S/C7H11NO5.C4H11NO/c1-4(9)8-5(7(12)13)2-3-6(10)11;1-5(2)3-4-6/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);6H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22N2O6
Molecular Weight 278.3
AlogP -0.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 103.7
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 13.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEMBL CHEMBL3833347
FDA SRS 2PP737Z523
PubChem 71125