2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid

C11H14N6O2 — CID 102922998

IUPAC2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1cncnc1
InChIInChI=1S/C11H14N6O2/c1-3-11(4-2,10(18)19)17-9(14-15-16-17)8-5-12-7-13-6-8/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyRISIRJUTIXNAHV-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.73
Rot. Bonds5

About 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid

2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid (PubChem CID 102922998) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid
PubChem CID102922998
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1cncnc1
InChIInChI=1S/C11H14N6O2/c1-3-11(4-2,10(18)19)17-9(14-15-16-17)8-5-12-7-13-6-8/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyRISIRJUTIXNAHV-UHFFFAOYSA-N
XLogP0.73
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-2-[5-(3-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 79809118
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-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
CID 79809215
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 79813158
2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid
CID 79813162
2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
CID 79809910
2-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 81252312
2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
CID 15007312
2-ethyl-2-[5-(methylsulfonylmethyl)tetrazol-1-yl]butanoic acid
CID 79810180
2-[5-(3,5-difluorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 79788966
2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid
CID 79809912

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid?
The IUPAC name of 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid (CID 102922998) is 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid is CCC(CC)(C(=O)O)n1nnnc1-c1cncnc1.
What is the InChIKey of 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid?
The InChIKey is RISIRJUTIXNAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-3-11(4-2,10(18)19)17-9(14-15-16-17)8-5-12-7-13-6-8/h5-7H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid?
2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 102922998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).