3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid

C13H16N4O3 — CID 66043635

IUPAC3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1CCOc1ccccc1
InChIInChI=1S/C13H16N4O3/c1-10(9-13(18)19)17-12(14-15-16-17)7-8-20-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyIZTLKXUGLVZYNF-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.33
Rot. Bonds7

About 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid

3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid (PubChem CID 66043635) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
PubChem CID66043635
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1CCOc1ccccc1
InChIInChI=1S/C13H16N4O3/c1-10(9-13(18)19)17-12(14-15-16-17)7-8-20-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyIZTLKXUGLVZYNF-UHFFFAOYSA-N
XLogP1.33
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 82225903
3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 81067843
2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid
CID 66042374
3-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]butanoic acid
CID 66043236
3-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]butanoic acid
CID 66041427
5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
3-[5-(3-methoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66045312
3-(5-quinoxalin-5-yltetrazol-1-yl)butanoic acid
CID 104615854
3-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66044352
3-[5-(2-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 79206504
3-[5-[2-(trifluoromethyl)phenyl]tetrazol-1-yl]butanoic acid
CID 66041023
3-[5-(2,3-dimethylphenyl)tetrazol-1-yl]butanoic acid
CID 66046972

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid (CID 66043635) is 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid is CC(CC(=O)O)n1nnnc1CCOc1ccccc1.
What is the InChIKey of 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is IZTLKXUGLVZYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-10(9-13(18)19)17-12(14-15-16-17)7-8-20-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,19).
What are the key properties of 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 276.30 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66043635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).