2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid

C9H16N4O2 — CID 79809215

IUPAC2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
SMILESCCc1nnnn1C(CC)(CC)C(=O)O
InChIInChI=1S/C9H16N4O2/c1-4-7-10-11-12-13(7)9(5-2,6-3)8(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyNBCWJPGJTUPMNV-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.84
Rot. Bonds5

About 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid

2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid (PubChem CID 79809215) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
PubChem CID79809215
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
SMILESCCc1nnnn1C(CC)(CC)C(=O)O
InChIInChI=1S/C9H16N4O2/c1-4-7-10-11-12-13(7)9(5-2,6-3)8(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyNBCWJPGJTUPMNV-UHFFFAOYSA-N
XLogP0.84
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid?
The IUPAC name of 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid (CID 79809215) is 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid is CCc1nnnn1C(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid?
The InChIKey is NBCWJPGJTUPMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-7-10-11-12-13(7)9(5-2,6-3)8(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid?
2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 79809215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).