3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid

C14H18N4O3 — CID 81067843

IUPAC3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)Cn1nnnc1CCOc1ccccc1
InChIInChI=1S/C14H18N4O3/c1-11(9-14(19)20)10-18-13(15-16-17-18)7-8-21-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20)
InChIKeyBOVKQEAWZHCUHY-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.41
Rot. Bonds8

About 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid

3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid (PubChem CID 81067843) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
PubChem CID81067843
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)Cn1nnnc1CCOc1ccccc1
InChIInChI=1S/C14H18N4O3/c1-11(9-14(19)20)10-18-13(15-16-17-18)7-8-21-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20)
InChIKeyBOVKQEAWZHCUHY-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 66043635
5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81071397
4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071951
3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 82225903
3-methyl-4-[5-(2-methylbutyl)tetrazol-1-yl]butanoic acid
CID 114877455
3-methyl-4-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 81072066
4-[5-[(2-chloro-6-fluorophenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81068088
3-methyl-4-[5-(2,2,2-trifluoroethoxymethyl)tetrazol-1-yl]butanoic acid
CID 103213507
4-[5-[(3,4-dimethylphenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81068864
4-[5-[(3,4-difluorophenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81067960
3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
CID 84759563

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid (CID 81067843) is 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid is CC(CC(=O)O)Cn1nnnc1CCOc1ccccc1.
What is the InChIKey of 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is BOVKQEAWZHCUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-11(9-14(19)20)10-18-13(15-16-17-18)7-8-21-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20).
What are the key properties of 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid?
3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 81067843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).