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

C13H24N4O2 — CID 113308820

IUPAC2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid
SMILESCCC(CC)(Cn1nnnc1C(C)C(C)C)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-6-13(7-2,12(18)19)8-17-11(14-15-16-17)10(5)9(3)4/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyZQTAUTSOMUHZOO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.32
Rot. Bonds7

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

2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid (PubChem CID 113308820) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid
PubChem CID113308820
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid
SMILESCCC(CC)(Cn1nnnc1C(C)C(C)C)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-6-13(7-2,12(18)19)8-17-11(14-15-16-17)10(5)9(3)4/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyZQTAUTSOMUHZOO-UHFFFAOYSA-N
XLogP2.32
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.32
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-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid (CID 113308820) is 2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid is CCC(CC)(Cn1nnnc1C(C)C(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid?
The InChIKey is ZQTAUTSOMUHZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-13(7-2,12(18)19)8-17-11(14-15-16-17)10(5)9(3)4/h9-10H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid?
2-ethyl-2-[[5-(3-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.32, 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-methylbutan-2-yl)tetrazol-1-yl]methyl]butanoic acid is sourced from PubChem (CID 113308820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).