3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid

C12H14N4O2 — CID 82295196

IUPAC3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid
SMILESCc1ccc(-n2nnc(CCC(=O)O)n2)c(C)c1
InChIInChI=1S/C12H14N4O2/c1-8-3-4-10(9(2)7-8)16-14-11(13-15-16)5-6-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyOMMOIVVMKDFHHM-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.30
Rot. Bonds4

About 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid

3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid (PubChem CID 82295196) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid
PubChem CID82295196
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid
SMILESCc1ccc(-n2nnc(CCC(=O)O)n2)c(C)c1
InChIInChI=1S/C12H14N4O2/c1-8-3-4-10(9(2)7-8)16-14-11(13-15-16)5-6-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyOMMOIVVMKDFHHM-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-bromo-4-methylphenyl)tetrazol-5-yl]propanoic acid
CID 82308879
3-[2-(2,6-dimethylphenyl)tetrazol-5-yl]propanoic acid
CID 82295200
2-(2,4-dimethylphenyl)tetrazole-5-carboxylic acid
CID 82285364
3-[1-(2,4-dimethylphenyl)triazol-4-yl]propanoic acid
CID 82369444
3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid
CID 82291536
3-(2-methyltetrazol-5-yl)propanoic acid
CID 22069179
2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
CID 82285362
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-[1-(2-hydroxy-4-methylphenyl)triazol-4-yl]propanoic acid
CID 82369417
2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419241
3-[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82483973
3-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]propanoic acid
CID 82369441

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid (CID 82295196) is 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid is Cc1ccc(-n2nnc(CCC(=O)O)n2)c(C)c1.
What is the InChIKey of 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid?
The InChIKey is OMMOIVVMKDFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-3-4-10(9(2)7-8)16-14-11(13-15-16)5-6-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid?
3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylphenyl)tetrazol-5-yl]propanoic acid is sourced from PubChem (CID 82295196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).