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

C11H12N4O2 — CID 82289553

IUPAC2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid
SMILESCCc1ccc(-n2nnc(CC(=O)O)n2)cc1
InChIInChI=1S/C11H12N4O2/c1-2-8-3-5-9(6-4-8)15-13-10(12-14-15)7-11(16)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyGTLLPCCDECHVSI-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.85
Rot. Bonds4

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

2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid (PubChem CID 82289553) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid
PubChem CID82289553
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid
SMILESCCc1ccc(-n2nnc(CC(=O)O)n2)cc1
InChIInChI=1S/C11H12N4O2/c1-2-8-3-5-9(6-4-8)15-13-10(12-14-15)7-11(16)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyGTLLPCCDECHVSI-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid
CID 82307384
2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
CID 82285362
2-[4-(5-ethyltetrazol-1-yl)phenyl]acetic acid
CID 43617238
5-amino-1-(4-ethylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 116817597
2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201002
3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid
CID 82291536
1-(4-ethylphenyl)triazole-4-carbonyl chloride
CID 91895179
2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879301
5-(2,2-dimethylpropyl)-2-phenyltetrazole
CID 69033317
5-ethyl-1-(4-ethylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652420
3-[[1-(4-ethylphenyl)tetrazol-5-yl]methylsulfanyl]propanoic acid
CID 21295412
2-(4-ethylphenyl)-5-isocyanatobenzotriazole
CID 169354537

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid (CID 82289553) is 2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid is CCc1ccc(-n2nnc(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid?
The InChIKey is GTLLPCCDECHVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-8-3-5-9(6-4-8)15-13-10(12-14-15)7-11(16)17/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid?
2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 82289553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).