4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid

C14H18N4O2 — CID 80541663

IUPAC4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid
SMILESCc1ccc(-c2nnnn2CCC(C)C(=O)O)c(C)c1
InChIInChI=1S/C14H18N4O2/c1-9-4-5-12(11(3)8-9)13-15-16-17-18(13)7-6-10(2)14(19)20/h4-5,8,10H,6-7H2,1-3H3,(H,19,20)
InChIKeyDBOOHKOIAUHQFA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.07
Rot. Bonds5

About 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid

4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid (PubChem CID 80541663) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid
PubChem CID80541663
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid
SMILESCc1ccc(-c2nnnn2CCC(C)C(=O)O)c(C)c1
InChIInChI=1S/C14H18N4O2/c1-9-4-5-12(11(3)8-9)13-15-16-17-18(13)7-6-10(2)14(19)20/h4-5,8,10H,6-7H2,1-3H3,(H,19,20)
InChIKeyDBOOHKOIAUHQFA-UHFFFAOYSA-N
XLogP2.07
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic 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

4-[5-(4-bromo-2-methylphenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541554
4-[5-(2,4-dichlorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541340
4-[5-(2,3-dichlorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541594
4-[5-(2,3-difluorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541642
3-[5-(4-bromo-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046757
4-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541308
4-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541235
3-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046518
2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 80541240
4-[5-(4-bromo-2,6-difluorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541359
2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
CID 80541339
4-[5-(3-bromothiophen-2-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541512

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid?
The IUPAC name of 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid (CID 80541663) is 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid.
What is the SMILES notation for 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid?
The canonical SMILES for 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid is Cc1ccc(-c2nnnn2CCC(C)C(=O)O)c(C)c1.
What is the InChIKey of 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid?
The InChIKey is DBOOHKOIAUHQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-4-5-12(11(3)8-9)13-15-16-17-18(13)7-6-10(2)14(19)20/h4-5,8,10H,6-7H2,1-3H3,(H,19,20).
What are the key properties of 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid?
4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid is sourced from PubChem (CID 80541663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).