4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid

C14H18N4O3 — CID 103160348

IUPAC4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCCc1ccc(-c2nnnn2CC(CC(=O)O)OC)cc1
InChIInChI=1S/C14H18N4O3/c1-3-10-4-6-11(7-5-10)14-15-16-17-18(14)9-12(21-2)8-13(19)20/h4-7,12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyJXMBVYZBSJKFQC-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.39
Rot. Bonds7

About 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid

4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid (PubChem CID 103160348) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
PubChem CID103160348
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCCc1ccc(-c2nnnn2CC(CC(=O)O)OC)cc1
InChIInChI=1S/C14H18N4O3/c1-3-10-4-6-11(7-5-10)14-15-16-17-18(14)9-12(21-2)8-13(19)20/h4-7,12H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyJXMBVYZBSJKFQC-UHFFFAOYSA-N
XLogP1.39
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-[5-(4-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 103160384
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591
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
2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
CID 66008884
3-methoxy-4-[5-(2-methylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 103160595
3-methoxy-4-[5-(2-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 103160464
4-[5-(5-bromo-2-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160599
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
4-[5-(2-chloro-3-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160482
4-[5-(4,5-dimethylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160426
3-ethoxy-4-[5-(furan-3-yl)tetrazol-1-yl]butanoic acid
CID 114227252

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid?
The IUPAC name of 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid (CID 103160348) is 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid?
The canonical SMILES for 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid is CCc1ccc(-c2nnnn2CC(CC(=O)O)OC)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid?
The InChIKey is JXMBVYZBSJKFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-10-4-6-11(7-5-10)14-15-16-17-18(14)9-12(21-2)8-13(19)20/h4-7,12H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid?
4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid is sourced from PubChem (CID 103160348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).