3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid

C7H10N4O2 — CID 54299683

IUPAC3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Cc2nn[nH]n2)C1
InChIInChI=1S/C7H10N4O2/c12-7(13)5-1-4(2-5)3-6-8-10-11-9-6/h4-5H,1-3H2,(H,12,13)(H,8,9,10,11)
InChIKeySDHWGKZEDWAFKL-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.15
Rot. Bonds3

About 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid

3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid (PubChem CID 54299683) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid
PubChem CID54299683
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Cc2nn[nH]n2)C1
InChIInChI=1S/C7H10N4O2/c12-7(13)5-1-4(2-5)3-6-8-10-11-9-6/h4-5H,1-3H2,(H,12,13)(H,8,9,10,11)
InChIKeySDHWGKZEDWAFKL-UHFFFAOYSA-N
XLogP-0.15
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid (CID 54299683) is 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid is O=C(O)C1CC(Cc2nn[nH]n2)C1.
What is the InChIKey of 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid?
The InChIKey is SDHWGKZEDWAFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(13)5-1-4(2-5)3-6-8-10-11-9-6/h4-5H,1-3H2,(H,12,13)(H,8,9,10,11).
What are the key properties of 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid?
3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 54299683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).