2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

C11H17NO3 — CID 20748956

IUPAC2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC(C)CC12C(=O)OC1C(C)C(=O)N2C
InChIInChI=1S/C11H17NO3/c1-6(2)5-11-8(15-10(11)14)7(3)9(13)12(11)4/h6-8H,5H2,1-4H3
InChIKeyWUXUPZQHLUMFSW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.80
Rot. Bonds2

About 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (PubChem CID 20748956) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
PubChem CID20748956
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC(C)CC12C(=O)OC1C(C)C(=O)N2C
InChIInChI=1S/C11H17NO3/c1-6(2)5-11-8(15-10(11)14)7(3)9(13)12(11)4/h6-8H,5H2,1-4H3
InChIKeyWUXUPZQHLUMFSW-UHFFFAOYSA-N
XLogP0.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione with MolForge

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Related Compounds

1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 20748942
(4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 58610456
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one
CID 54130190
(3S,4R,5R)-3,4-dimethyl-5-propan-2-yloxolan-2-one
CID 45096004
6-(2,4-diaminophenyl)-3,4-dimethyl-3-(2-methylpropyl)morpholine-2,5-dione
CID 70007269
sodium 5,5-bis(2-methylpropyl)-1,3-oxazolidin-3-ide-2,4-dione
CID 23713051
1,3,3,5-tetramethyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 176667002
(5R)-3-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 118216515
3-methyl-4-(methylperoxymethyl)-5-propan-2-yl-1,3-oxazolidin-2-one
CID 20675838
4-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-one
CID 13237842
3,4-dimethyl-1-propan-2-ylpyrrolidine-2,5-dione
CID 22957000
(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The IUPAC name of 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (CID 20748956) is 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.
What is the SMILES notation for 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The canonical SMILES for 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is CC(C)CC12C(=O)OC1C(C)C(=O)N2C.
What is the InChIKey of 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The InChIKey is WUXUPZQHLUMFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-6(2)5-11-8(15-10(11)14)7(3)9(13)12(11)4/h6-8H,5H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione has a molecular weight of 211.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is sourced from PubChem (CID 20748956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).