2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

C13H14N4O3 — CID 82366586

IUPAC2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(-n2nnnc2C2CC2C(=O)O)cc1
InChIInChI=1S/C13H14N4O3/c1-2-20-9-5-3-8(4-6-9)17-12(14-15-16-17)10-7-11(10)13(18)19/h3-6,10-11H,2,7H2,1H3,(H,18,19)
InChIKeyYEAYOLIOKQYIED-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.25
Rot. Bonds5

About 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82366586) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82366586
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCCOc1ccc(-n2nnnc2C2CC2C(=O)O)cc1
InChIInChI=1S/C13H14N4O3/c1-2-20-9-5-3-8(4-6-9)17-12(14-15-16-17)10-7-11(10)13(18)19/h3-6,10-11H,2,7H2,1H3,(H,18,19)
InChIKeyYEAYOLIOKQYIED-UHFFFAOYSA-N
XLogP1.25
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-carbamoylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366576
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
2-[1-(2-propoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366637
2-[1-(3-chlorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366648
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 1172276
1-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 2732817
2-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366590
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30858415
2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366630
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-ethylphenyl)ethanone
CID 980909
2-[1-(2-chloro-4,6-dimethylphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
CID 82366580

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (CID 82366586) is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is CCOc1ccc(-n2nnnc2C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is YEAYOLIOKQYIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-20-9-5-3-8(4-6-9)17-12(14-15-16-17)10-7-11(10)13(18)19/h3-6,10-11H,2,7H2,1H3,(H,18,19).
What are the key properties of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82366586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).