2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid

C11H12N4O4 — CID 865438

IUPAC2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid
SMILESCOc1ccc(-c2nnn(CC(=O)O)n2)cc1OC
InChIInChI=1S/C11H12N4O4/c1-18-8-4-3-7(5-9(8)19-2)11-12-14-15(13-11)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyXLEIQDYORCVELY-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.44
Rot. Bonds5

About 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid (PubChem CID 865438) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid
PubChem CID865438
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid
SMILESCOc1ccc(-c2nnn(CC(=O)O)n2)cc1OC
InChIInChI=1S/C11H12N4O4/c1-18-8-4-3-7(5-9(8)19-2)11-12-14-15(13-11)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyXLEIQDYORCVELY-UHFFFAOYSA-N
XLogP0.44
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid (CID 865438) is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid is COc1ccc(-c2nnn(CC(=O)O)n2)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid?
The InChIKey is XLEIQDYORCVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-18-8-4-3-7(5-9(8)19-2)11-12-14-15(13-11)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid?
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid has a molecular weight of 264.24 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid is sourced from PubChem (CID 865438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).