2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid

C11H14N4O2S — CID 79809122

IUPAC2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1ccsc1
InChIInChI=1S/C11H14N4O2S/c1-3-11(4-2,10(16)17)15-9(12-13-14-15)8-5-6-18-7-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyQFWHQOHJXHXXHO-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.00
Rot. Bonds5

About 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid

2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid (PubChem CID 79809122) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
PubChem CID79809122
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1ccsc1
InChIInChI=1S/C11H14N4O2S/c1-3-11(4-2,10(16)17)15-9(12-13-14-15)8-5-6-18-7-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyQFWHQOHJXHXXHO-UHFFFAOYSA-N
XLogP2.00
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
The IUPAC name of 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid (CID 79809122) is 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid is CCC(CC)(C(=O)O)n1nnnc1-c1ccsc1.
What is the InChIKey of 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
The InChIKey is QFWHQOHJXHXXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-11(4-2,10(16)17)15-9(12-13-14-15)8-5-6-18-7-8/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid?
2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid has a molecular weight of 266.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(5-thiophen-3-yltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 79809122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).