3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid

C13H20N4O2 — CID 113308390

IUPAC3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1nnnc1C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C13H20N4O2/c1-13(2,12(18)19)7-17-11(14-15-16-17)10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3,(H,18,19)
InChIKeyORCPNXHLMUVEFM-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.69
Rot. Bonds4

About 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid

3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 113308390) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
PubChem CID113308390
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cn1nnnc1C1CC2CCC1C2)C(=O)O
InChIInChI=1S/C13H20N4O2/c1-13(2,12(18)19)7-17-11(14-15-16-17)10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3,(H,18,19)
InChIKeyORCPNXHLMUVEFM-UHFFFAOYSA-N
XLogP1.69
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid (CID 113308390) is 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid is CC(C)(Cn1nnnc1C1CC2CCC1C2)C(=O)O.
What is the InChIKey of 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is ORCPNXHLMUVEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,12(18)19)7-17-11(14-15-16-17)10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid?
3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 264.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113308390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).