4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid

C14H18N4O3 — CID 82226252

IUPAC4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid
SMILESCCOc1ccc(Cc2nnnn2CCCC(=O)O)cc1
InChIInChI=1S/C14H18N4O3/c1-2-21-12-7-5-11(6-8-12)10-13-15-16-17-18(13)9-3-4-14(19)20/h5-8H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyQCPSBFCBLLETPV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.53
Rot. Bonds8

About 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid

4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid (PubChem CID 82226252) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid
PubChem CID82226252
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid
SMILESCCOc1ccc(Cc2nnnn2CCCC(=O)O)cc1
InChIInChI=1S/C14H18N4O3/c1-2-21-12-7-5-11(6-8-12)10-13-15-16-17-18(13)9-3-4-14(19)20/h5-8H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyQCPSBFCBLLETPV-UHFFFAOYSA-N
XLogP1.53
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 94970277
5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470
3-[5-[(3-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
CID 66040608
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
1-(3-carboxypropyl)-5-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 94946448
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
CID 113269967
3-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)triazole-4-carboxylic acid
CID 82209886
5-[(4-ethoxyphenyl)methyl]-1-pentyltriazole-4-carbaldehyde
CID 82205731
4-[5-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]tetrazol-1-yl]butanoic acid
CID 15614901

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid (CID 82226252) is 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid is CCOc1ccc(Cc2nnnn2CCCC(=O)O)cc1.
What is the InChIKey of 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid?
The InChIKey is QCPSBFCBLLETPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-21-12-7-5-11(6-8-12)10-13-15-16-17-18(13)9-3-4-14(19)20/h5-8H,2-4,9-10H2,1H3,(H,19,20).
What are the key properties of 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid?
4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 82226252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).