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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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).