1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid

C11H16N4O2 — CID 81167840

IUPAC1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2C2CCCC2)CCC1
InChIInChI=1S/C11H16N4O2/c16-10(17)11(6-3-7-11)15-9(12-13-14-15)8-4-1-2-5-8/h8H,1-7H2,(H,16,17)
InChIKeyOPZVCIMULDYTBZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.29
Rot. Bonds3

About 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid

1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 81167840) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid
PubChem CID81167840
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2C2CCCC2)CCC1
InChIInChI=1S/C11H16N4O2/c16-10(17)11(6-3-7-11)15-9(12-13-14-15)8-4-1-2-5-8/h8H,1-7H2,(H,16,17)
InChIKeyOPZVCIMULDYTBZ-UHFFFAOYSA-N
XLogP1.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid (CID 81167840) is 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2C2CCCC2)CCC1.
What is the InChIKey of 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is OPZVCIMULDYTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(17)11(6-3-7-11)15-9(12-13-14-15)8-4-1-2-5-8/h8H,1-7H2,(H,16,17).
What are the key properties of 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid?
1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).