Details of the Drug

General Information of Drug (ID: DM09LY4)

Drug Name

3,3-Dimethyl-dihydro-furan-2-one

Synonyms

3709-08-8; alpha,alpha-Dimethyl-gamma-butyrolactone; 3,3-dimethyldihydrofuran-2(3h)-one; 3,3-dimethyloxolan-2-one; 2(3H)-Furanone, dihydro-3,3-dimethyl-; Dihydro-3,3-dimethyl-2(3H)-furanone; 2,2-Dimethyl-4-butyrolactone; UPVAIJPDWVTFKT-UHFFFAOYSA-N; Butyric acid, 2,2-dimethyl-4-hydroxy-, g-lactone; Dimethylbutanolid; alpha-DMgBL; NSC1094; AC1L3STF; AC1Q6HQD; 2,2-dimethylbutyrolactone; Furanone, dihydrodimethyl-; a,a-Dimethyl- -butyrolactone; SCHEMBL149596; CHEMBL33962; CTK2A6366; DTXSID30190584; MolPort-009-198-442

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

114.14

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C6H10O2
IUPAC Name: 3,3-dimethyloxolan-2-one
Canonical SMILES: CC1(CCOC1=O)C
InChI: InChI=1S/C6H10O2/c1-6(2)3-4-8-5(6)7/h3-4H2,1-2H3
InChIKey: UPVAIJPDWVTFKT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 94746
CAS Number: 3709-08-8
TTD ID: D09CKP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Alpha-spirocyclopentyl- and alpha-spirocyclopropyl-gamma-butyrolactones: conformationally constrained derivatives of anticonvulsant and convulsant ... J Med Chem. 1994 Jan 21;37(2):275-86.