2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid

C11H20N4O2 — CID 79809910

IUPAC2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1C(C)(C)C
InChIInChI=1S/C11H20N4O2/c1-6-11(7-2,9(16)17)15-8(10(3,4)5)12-13-14-15/h6-7H2,1-5H3,(H,16,17)
InChIKeySVTMOHUFNMKFSH-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.57
Rot. Bonds4

About 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid

2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid (PubChem CID 79809910) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
PubChem CID79809910
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1C(C)(C)C
InChIInChI=1S/C11H20N4O2/c1-6-11(7-2,9(16)17)15-8(10(3,4)5)12-13-14-15/h6-7H2,1-5H3,(H,16,17)
InChIKeySVTMOHUFNMKFSH-UHFFFAOYSA-N
XLogP1.57
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
CID 79809215
5-tert-butyl-1-(2-methylbutan-2-yl)tetrazole
CID 134576797
2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid
CID 79810180
2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid
CID 102922998
2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid
CID 79809912
2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 79809905
2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid
CID 79809564
2-ethyl-2-[5-(5-ethylfuran-2-yl)tetrazol-1-yl]butanoic acid
CID 79810082
2-(benzotriazol-1-yl)-2-ethylbutanoic acid
CID 82152137
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 79813158
2-ethyl-2-[5-(3-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 79809118
2-ethyl-2-[5-(oxan-2-yl)tetrazol-1-yl]butanoic acid
CID 79810085

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid (CID 79809910) is 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid is CCC(CC)(C(=O)O)n1nnnc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid?
The InChIKey is SVTMOHUFNMKFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6-11(7-2,9(16)17)15-8(10(3,4)5)12-13-14-15/h6-7H2,1-5H3,(H,16,17).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid?
2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid has a molecular weight of 240.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid is sourced from PubChem (CID 79809910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).