3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid

C11H14N4O4 — CID 114227252

IUPAC3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid
SMILESCCOC(CC(=O)O)Cn1nnnc1-c1ccoc1
InChIInChI=1S/C11H14N4O4/c1-2-19-9(5-10(16)17)6-15-11(12-13-14-15)8-3-4-18-7-8/h3-4,7,9H,2,5-6H2,1H3,(H,16,17)
InChIKeyOZRPGRAOXDOTEY-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.81
Rot. Bonds7

About 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid

3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid (PubChem CID 114227252) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid
PubChem CID114227252
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid
SMILESCCOC(CC(=O)O)Cn1nnnc1-c1ccoc1
InChIInChI=1S/C11H14N4O4/c1-2-19-9(5-10(16)17)6-15-11(12-13-14-15)8-3-4-18-7-8/h3-4,7,9H,2,5-6H2,1H3,(H,16,17)
InChIKeyOZRPGRAOXDOTEY-UHFFFAOYSA-N
XLogP0.81
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591
2-[[5-(furan-3-yl)tetrazol-1-yl]methyl]-4,4-dimethylpentanoic acid
CID 107475162
4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160348
3-methoxy-4-[5-(2-methylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 103160595
3-methoxy-4-[5-(4-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 103160384
4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160390
3-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 81072067
3-[[5-(3,5-difluorophenyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81068091
3-[[5-(5-chlorofuran-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 106690589
4-[5-(5-bromo-2-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160599
3-methoxy-4-[5-(2-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 103160464

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid (CID 114227252) is 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid is CCOC(CC(=O)O)Cn1nnnc1-c1ccoc1.
What is the InChIKey of 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is OZRPGRAOXDOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-2-19-9(5-10(16)17)6-15-11(12-13-14-15)8-3-4-18-7-8/h3-4,7,9H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid?
3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 266.26 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 114227252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).