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

C15H24N2O3 — CID 66476374

IUPAC3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)(CC(=O)O)Cc1nnc(C2C(C)(C)C2(C)C)o1
InChIInChI=1S/C15H24N2O3/c1-13(2,8-10(18)19)7-9-16-17-12(20-9)11-14(3,4)15(11,5)6/h11H,7-8H2,1-6H3,(H,18,19)
InChIKeyAMZPYFCTUSJVJT-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.26
Rot. Bonds5

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

3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 66476374) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID66476374
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)(CC(=O)O)Cc1nnc(C2C(C)(C)C2(C)C)o1
InChIInChI=1S/C15H24N2O3/c1-13(2,8-10(18)19)7-9-16-17-12(20-9)11-14(3,4)15(11,5)6/h11H,7-8H2,1-6H3,(H,18,19)
InChIKeyAMZPYFCTUSJVJT-UHFFFAOYSA-N
XLogP3.26
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.26
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-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 66476374) is 3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid is CC(C)(CC(=O)O)Cc1nnc(C2C(C)(C)C2(C)C)o1.
What is the InChIKey of 3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is AMZPYFCTUSJVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-13(2,8-10(18)19)7-9-16-17-12(20-9)11-14(3,4)15(11,5)6/h11H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 280.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 66476374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).