3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid

C8H12N2O3 — CID 82239624

IUPAC3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCC(C)(CC(=O)O)Cc1ncno1
InChIInChI=1S/C8H12N2O3/c1-8(2,4-7(11)12)3-6-9-5-10-13-6/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYDQZCAQCULLEML-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.11
Rot. Bonds4

About 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid

3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid (PubChem CID 82239624) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid
PubChem CID82239624
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCC(C)(CC(=O)O)Cc1ncno1
InChIInChI=1S/C8H12N2O3/c1-8(2,4-7(11)12)3-6-9-5-10-13-6/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyYDQZCAQCULLEML-UHFFFAOYSA-N
XLogP1.11
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid?
The IUPAC name of 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid (CID 82239624) is 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid?
The canonical SMILES for 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid is CC(C)(CC(=O)O)Cc1ncno1.
What is the InChIKey of 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid?
The InChIKey is YDQZCAQCULLEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,4-7(11)12)3-6-9-5-10-13-6/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid?
3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid has a molecular weight of 184.19 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid is sourced from PubChem (CID 82239624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).