3-(2-benzyltetrazol-5-yl)propanoic acid

C11H12N4O2 — CID 10466472

IUPAC3-(2-benzyltetrazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C11H12N4O2/c16-11(17)7-6-10-12-14-15(13-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKeyLVVIOLLBVMIXGI-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.74
Rot. Bonds5

About 3-(2-benzyltetrazol-5-yl)propanoic acid

3-(2-benzyltetrazol-5-yl)propanoic acid (PubChem CID 10466472) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(2-benzyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-benzyltetrazol-5-yl)propanoic acid
PubChem CID10466472
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-(2-benzyltetrazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C11H12N4O2/c16-11(17)7-6-10-12-14-15(13-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKeyLVVIOLLBVMIXGI-UHFFFAOYSA-N
XLogP0.74
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyltetrazol-5-yl)propanoic acid?
The IUPAC name of 3-(2-benzyltetrazol-5-yl)propanoic acid (CID 10466472) is 3-(2-benzyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-benzyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(2-benzyltetrazol-5-yl)propanoic acid is O=C(O)CCc1nnn(Cc2ccccc2)n1.
What is the InChIKey of 3-(2-benzyltetrazol-5-yl)propanoic acid?
The InChIKey is LVVIOLLBVMIXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(17)7-6-10-12-14-15(13-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17).
What are the key properties of 3-(2-benzyltetrazol-5-yl)propanoic acid?
3-(2-benzyltetrazol-5-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 10466472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).