3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid

C11H18N4O2S — CID 79629924

IUPAC3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
SMILESCC(C)(CSc1nnnn1C1CCCC1)C(=O)O
InChIInChI=1S/C11H18N4O2S/c1-11(2,9(16)17)7-18-10-12-13-14-15(10)8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyMNGWEYBHHDROGY-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.99
Rot. Bonds5

About 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid

3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid (PubChem CID 79629924) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
PubChem CID79629924
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
SMILESCC(C)(CSc1nnnn1C1CCCC1)C(=O)O
InChIInChI=1S/C11H18N4O2S/c1-11(2,9(16)17)7-18-10-12-13-14-15(10)8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyMNGWEYBHHDROGY-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid (CID 79629924) is 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid is CC(C)(CSc1nnnn1C1CCCC1)C(=O)O.
What is the InChIKey of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid?
The InChIKey is MNGWEYBHHDROGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,9(16)17)7-18-10-12-13-14-15(10)8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid?
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid has a molecular weight of 270.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79629924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).