3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid

C14H22N2O3 — CID 103500564

IUPAC3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
SMILESCCC1CCC(c2noc(C(C)C(C)C(=O)O)n2)C1
InChIInChI=1S/C14H22N2O3/c1-4-10-5-6-11(7-10)12-15-13(19-16-12)8(2)9(3)14(17)18/h8-11H,4-7H2,1-3H3,(H,17,18)
InChIKeyWUSXIRUVRVJHIT-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.19
Rot. Bonds5

About 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid

3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid (PubChem CID 103500564) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
PubChem CID103500564
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
SMILESCCC1CCC(c2noc(C(C)C(C)C(=O)O)n2)C1
InChIInChI=1S/C14H22N2O3/c1-4-10-5-6-11(7-10)12-15-13(19-16-12)8(2)9(3)14(17)18/h8-11H,4-7H2,1-3H3,(H,17,18)
InChIKeyWUSXIRUVRVJHIT-UHFFFAOYSA-N
XLogP3.19
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid?
The IUPAC name of 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid (CID 103500564) is 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid.
What is the SMILES notation for 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid?
The canonical SMILES for 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid is CCC1CCC(c2noc(C(C)C(C)C(=O)O)n2)C1.
What is the InChIKey of 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid?
The InChIKey is WUSXIRUVRVJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-10-5-6-11(7-10)12-15-13(19-16-12)8(2)9(3)14(17)18/h8-11H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid?
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid is sourced from PubChem (CID 103500564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).