2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid

C14H17FN4O2 — CID 79813162

IUPAC2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1cc(C)ccc1F
InChIInChI=1S/C14H17FN4O2/c1-4-14(5-2,13(20)21)19-12(16-17-18-19)10-8-9(3)6-7-11(10)15/h6-8H,4-5H2,1-3H3,(H,20,21)
InChIKeyDPGKSYPOVRAQRO-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.39
Rot. Bonds5

About 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid

2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid (PubChem CID 79813162) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid
PubChem CID79813162
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid
SMILESCCC(CC)(C(=O)O)n1nnnc1-c1cc(C)ccc1F
InChIInChI=1S/C14H17FN4O2/c1-4-14(5-2,13(20)21)19-12(16-17-18-19)10-8-9(3)6-7-11(10)15/h6-8H,4-5H2,1-3H3,(H,20,21)
InChIKeyDPGKSYPOVRAQRO-UHFFFAOYSA-N
XLogP2.39
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic 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

2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 79813158
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040602
2-ethyl-2-[5-(3-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 79809118
3-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046518
2-ethyl-2-(5-pyrimidin-5-yltetrazol-1-yl)butanoic acid
CID 102922998
4-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071528
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040798
2-ethyl-2-[5-(furan-2-yl)tetrazol-1-yl]butanoic acid
CID 79809564
2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 102885707
2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
CID 79809215
2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
CID 79809910
2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 82818547

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid (CID 79813162) is 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid is CCC(CC)(C(=O)O)n1nnnc1-c1cc(C)ccc1F.
What is the InChIKey of 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid?
The InChIKey is DPGKSYPOVRAQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-4-14(5-2,13(20)21)19-12(16-17-18-19)10-8-9(3)6-7-11(10)15/h6-8H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid?
2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid has a molecular weight of 292.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79813162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).