Structure

InChI Key PGNKBEARDDELNB-UHFFFAOYSA-N
Smile CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H29N3O8
Molecular Weight 391.42
AlogP 0.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 26.79
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR Nematode GABA-A receptor positive modulator ISBN PubMed Wikipedia Wikipedia Wikipedia

Related Entries

Parent

Cross References

Resources Reference
ChEBI 4528
ChEMBL CHEMBL937
EPA CompTox DTXSID4045555
FDA SRS OS1Z389K8S
PubChem 15432
SureChEMBL SCHEMBL37736