2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid

C11H12N4O2 — CID 66008884

IUPAC2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
SMILESCCc1ccc(-c2nnnn2CC(=O)O)cc1
InChIInChI=1S/C11H12N4O2/c1-2-8-3-5-9(6-4-8)11-12-13-14-15(11)7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyZMEPKAAEGHLUJK-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.99
Rot. Bonds4

About 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid

2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid (PubChem CID 66008884) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
PubChem CID66008884
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
SMILESCCc1ccc(-c2nnnn2CC(=O)O)cc1
InChIInChI=1S/C11H12N4O2/c1-2-8-3-5-9(6-4-8)11-12-13-14-15(11)7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyZMEPKAAEGHLUJK-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid (CID 66008884) is 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid is CCc1ccc(-c2nnnn2CC(=O)O)cc1.
What is the InChIKey of 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid?
The InChIKey is ZMEPKAAEGHLUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-8-3-5-9(6-4-8)11-12-13-14-15(11)7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid?
2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66008884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).