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

C14H18N4O3 — CID 84759774

IUPAC5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
SMILESO=C(O)CCCCn1nnnc1CCOc1ccccc1
InChIInChI=1S/C14H18N4O3/c19-14(20)8-4-5-10-18-13(15-16-17-18)9-11-21-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20)
InChIKeyBSYIPSMERPXGQD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.55
Rot. Bonds9

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

5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid (PubChem CID 84759774) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
PubChem CID84759774
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
SMILESO=C(O)CCCCn1nnnc1CCOc1ccccc1
InChIInChI=1S/C14H18N4O3/c19-14(20)8-4-5-10-18-13(15-16-17-18)9-11-21-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20)
InChIKeyBSYIPSMERPXGQD-UHFFFAOYSA-N
XLogP1.55
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
CID 84759563
3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 81067843
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
CID 113269967
5-(chloromethyl)-1-(3-phenoxypropyl)tetrazole
CID 55108949
6-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 94970277
9-phenoxynonanoic acid
CID 15887638
4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid
CID 82226252
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470
3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 66043635
2-phenoxypropanoic acid;11-phenoxyundecanoic acid
CID 67508257
3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
CID 94970264
3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 82225903

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid?
The IUPAC name of 5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid (CID 84759774) is 5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid is O=C(O)CCCCn1nnnc1CCOc1ccccc1.
What is the InChIKey of 5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid?
The InChIKey is BSYIPSMERPXGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c19-14(20)8-4-5-10-18-13(15-16-17-18)9-11-21-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20).
What are the key properties of 5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid?
5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 84759774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).