2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid

C12H22N4O2 — CID 79809912

IUPAC2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1CCC(C)C
InChIInChI=1S/C12H22N4O2/c1-5-12(6-2,11(17)18)16-10(13-14-15-16)8-7-9(3)4/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyXEUCPVZQOAFBIL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.86
Rot. Bonds7

About 2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid

2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid (PubChem CID 79809912) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid
PubChem CID79809912
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1CCC(C)C
InChIInChI=1S/C12H22N4O2/c1-5-12(6-2,11(17)18)16-10(13-14-15-16)8-7-9(3)4/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyXEUCPVZQOAFBIL-UHFFFAOYSA-N
XLogP1.86
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.86
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-(3-methylbutyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid (CID 79809912) is 2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid is CCC(CC)(C(=O)O)n1nnnc1CCC(C)C.
What is the InChIKey of 2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid?
The InChIKey is XEUCPVZQOAFBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-12(6-2,11(17)18)16-10(13-14-15-16)8-7-9(3)4/h9H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid?
2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79809912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).