2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid

C11H18N2O4 — CID 54977807

IUPAC2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid
SMILESCOCc1noc(CC(C)(C(=O)O)C(C)C)n1
InChIInChI=1S/C11H18N2O4/c1-7(2)11(3,10(14)15)5-9-12-8(6-16-4)13-17-9/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyOBMFURSJZVCBBC-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.51
Rot. Bonds6

About 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid

2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid (PubChem CID 54977807) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid
PubChem CID54977807
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid
SMILESCOCc1noc(CC(C)(C(=O)O)C(C)C)n1
InChIInChI=1S/C11H18N2O4/c1-7(2)11(3,10(14)15)5-9-12-8(6-16-4)13-17-9/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyOBMFURSJZVCBBC-UHFFFAOYSA-N
XLogP1.51
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid (CID 54977807) is 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid is COCc1noc(CC(C)(C(=O)O)C(C)C)n1.
What is the InChIKey of 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid?
The InChIKey is OBMFURSJZVCBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(2)11(3,10(14)15)5-9-12-8(6-16-4)13-17-9/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid?
2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid has a molecular weight of 242.27 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 54977807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).