2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid

C12H13FN4O3 — CID 102885707

IUPAC2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(-c2nnnn2C(C)(C)C(=O)O)c(F)c1
InChIInChI=1S/C12H13FN4O3/c1-12(2,11(18)19)17-10(14-15-16-17)8-5-4-7(20-3)6-9(8)13/h4-6H,1-3H3,(H,18,19)
InChIKeyMZMLYPYBODIDGM-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.31
Rot. Bonds4

About 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid

2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 102885707) has the molecular formula C12H13FN4O3 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID102885707
Molecular FormulaC12H13FN4O3
Molecular Weight280.26 g/mol
Exact Mass280.10
IUPAC Name2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(-c2nnnn2C(C)(C)C(=O)O)c(F)c1
InChIInChI=1S/C12H13FN4O3/c1-12(2,11(18)19)17-10(14-15-16-17)8-5-4-7(20-3)6-9(8)13/h4-6H,1-3H3,(H,18,19)
InChIKeyMZMLYPYBODIDGM-UHFFFAOYSA-N
XLogP1.31
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 102885720
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040798
2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66041203
2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
CID 15007312
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 79813158
2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123559
2-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040997
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
2-[5-(2,3-dihydro-1-benzofuran-5-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043197
3-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole
CID 102885848
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480
tert-butyl 4-amino-3-(2-fluoro-4-methoxyphenyl)-5-methylpyrazole-1-carboxylate
CID 42873965

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 102885707) is 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid is COc1ccc(-c2nnnn2C(C)(C)C(=O)O)c(F)c1.
What is the InChIKey of 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is MZMLYPYBODIDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O3/c1-12(2,11(18)19)17-10(14-15-16-17)8-5-4-7(20-3)6-9(8)13/h4-6H,1-3H3,(H,18,19).
What are the key properties of 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 280.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 102885707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).