2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid

C13H16N4O4 — CID 66043608

IUPAC2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1cccc(OC)c1-c1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C13H16N4O4/c1-13(2,12(18)19)17-11(14-15-16-17)10-8(20-3)6-5-7-9(10)21-4/h5-7H,1-4H3,(H,18,19)
InChIKeyYWBLDNZBSRKIHK-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.18
Rot. Bonds5

About 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid

2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 66043608) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID66043608
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1cccc(OC)c1-c1nnnn1C(C)(C)C(=O)O
InChIInChI=1S/C13H16N4O4/c1-13(2,12(18)19)17-11(14-15-16-17)10-8(20-3)6-5-7-9(10)21-4/h5-7H,1-4H3,(H,18,19)
InChIKeyYWBLDNZBSRKIHK-UHFFFAOYSA-N
XLogP1.18
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 82818547
3-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66044352
2-[5-(3-chloro-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 107101228
2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid
CID 66042002
2-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81461945
2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
CID 66041204
2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123561
2-[5-(2,5-difluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040602
2-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040997
2-(5-isoquinolin-1-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66042998
2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123559
2-[5-(3-fluoro-4-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66041203

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid (CID 66043608) is 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid is COc1cccc(OC)c1-c1nnnn1C(C)(C)C(=O)O.
What is the InChIKey of 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is YWBLDNZBSRKIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-13(2,12(18)19)17-11(14-15-16-17)10-8(20-3)6-5-7-9(10)21-4/h5-7H,1-4H3,(H,18,19).
What are the key properties of 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 292.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 66043608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).