ETHINAMATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: IAN371PP48

Structure
InChI Key GXRZIMHKGDIBEW-UHFFFAOYSA-N
Smile C#CC1(OC(N)=O)CCCCC1
InChI
InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO2
Molecular Weight 167.21
AlogP 1.42
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 52.32
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 126-52-3
ChEBI 4884
ChEMBL CHEMBL1576
DrugBank DB01031
DrugCentral 1081
EPA CompTox DTXSID7023013
FDA SRS IAN371PP48
Human Metabolome Database HMDB0015165
Guide to Pharmacology 7325
KEGG C07832
PharmGKB PA164745394
PubChem 3284
SureChEMBL SCHEMBL44635
ZINC ZINC000000001385
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