2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid

C13H24N4O2 — CID 115431475

IUPAC2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid
SMILESCCCC(C)c1nnnn1CC(CC)(CC)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-5-8-10(4)11-14-15-16-17(11)9-13(6-2,7-3)12(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyKUAYJJQXODWCBT-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.47
Rot. Bonds8

About 2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid

2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid (PubChem CID 115431475) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid
PubChem CID115431475
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid
SMILESCCCC(C)c1nnnn1CC(CC)(CC)C(=O)O
InChIInChI=1S/C13H24N4O2/c1-5-8-10(4)11-14-15-16-17(11)9-13(6-2,7-3)12(18)19/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyKUAYJJQXODWCBT-UHFFFAOYSA-N
XLogP2.47
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.47
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-pentan-2-yltetrazol-1-yl)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid (CID 115431475) is 2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid is CCCC(C)c1nnnn1CC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid?
The InChIKey is KUAYJJQXODWCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-8-10(4)11-14-15-16-17(11)9-13(6-2,7-3)12(18)19/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid?
2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-pentan-2-yltetrazol-1-yl)methyl]butanoic acid is sourced from PubChem (CID 115431475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).