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

C11H18N2O4 — CID 54977859

IUPAC2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(COC)no1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-4-11(5-2,10(14)15)6-9-12-8(7-16-3)13-17-9/h4-7H2,1-3H3,(H,14,15)
InChIKeyCTRWURMMCMFZID-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.65
Rot. Bonds7

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

2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (PubChem CID 54977859) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
PubChem CID54977859
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCCC(CC)(Cc1nc(COC)no1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-4-11(5-2,10(14)15)6-9-12-8(7-16-3)13-17-9/h4-7H2,1-3H3,(H,14,15)
InChIKeyCTRWURMMCMFZID-UHFFFAOYSA-N
XLogP1.65
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (CID 54977859) is 2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is CCC(CC)(Cc1nc(COC)no1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The InChIKey is CTRWURMMCMFZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-11(5-2,10(14)15)6-9-12-8(7-16-3)13-17-9/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid has a molecular weight of 242.27 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is sourced from PubChem (CID 54977859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).