3-(tetrazol-1-yl)butanoic acid

C5H8N4O2 — CID 21280300

IUPAC3-(tetrazol-1-yl)butanoic acid
SMILESCC(CC(=O)O)n1cnnn1
InChIInChI=1S/C5H8N4O2/c1-4(2-5(10)11)9-3-6-7-8-9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyWFZSRJSWYJWHDU-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.29
Rot. Bonds3

About 3-(tetrazol-1-yl)butanoic acid

3-(tetrazol-1-yl)butanoic acid (PubChem CID 21280300) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(tetrazol-1-yl)butanoic acid
PubChem CID21280300
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name3-(tetrazol-1-yl)butanoic acid
SMILESCC(CC(=O)O)n1cnnn1
InChIInChI=1S/C5H8N4O2/c1-4(2-5(10)11)9-3-6-7-8-9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyWFZSRJSWYJWHDU-UHFFFAOYSA-N
XLogP-0.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)butanoic acid?
The IUPAC name of 3-(tetrazol-1-yl)butanoic acid (CID 21280300) is 3-(tetrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-(tetrazol-1-yl)butanoic acid?
The canonical SMILES for 3-(tetrazol-1-yl)butanoic acid is CC(CC(=O)O)n1cnnn1.
What is the InChIKey of 3-(tetrazol-1-yl)butanoic acid?
The InChIKey is WFZSRJSWYJWHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-4(2-5(10)11)9-3-6-7-8-9/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 3-(tetrazol-1-yl)butanoic acid?
3-(tetrazol-1-yl)butanoic acid has a molecular weight of 156.15 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)butanoic acid is sourced from PubChem (CID 21280300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).