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

C7H10N2O3 — CID 82239625

IUPAC3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)Cc1ncno1
InChIInChI=1S/C7H10N2O3/c1-5(3-7(10)11)2-6-8-4-9-12-6/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyQIWLZFNPQCUUFQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.72
Rot. Bonds4

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

3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid (PubChem CID 82239625) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid
PubChem CID82239625
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid
SMILESCC(CC(=O)O)Cc1ncno1
InChIInChI=1S/C7H10N2O3/c1-5(3-7(10)11)2-6-8-4-9-12-6/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyQIWLZFNPQCUUFQ-UHFFFAOYSA-N
XLogP0.72
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid?
The IUPAC name of 3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid (CID 82239625) is 3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid.
What is the SMILES notation for 3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid?
The canonical SMILES for 3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid is CC(CC(=O)O)Cc1ncno1.
What is the InChIKey of 3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid?
The InChIKey is QIWLZFNPQCUUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(3-7(10)11)2-6-8-4-9-12-6/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid?
3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid is sourced from PubChem (CID 82239625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).