3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid

C15H18N4O2 — CID 107127903

IUPAC3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1C1CCc2ccccc2C1
InChIInChI=1S/C15H18N4O2/c1-10(8-14(20)21)19-15(16-17-18-19)13-7-6-11-4-2-3-5-12(11)9-13/h2-5,10,13H,6-9H2,1H3,(H,20,21)
InChIKeyCCQOSLOTWGIFJZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds4

About 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid

3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 107127903) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID107127903
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1C1CCc2ccccc2C1
InChIInChI=1S/C15H18N4O2/c1-10(8-14(20)21)19-15(16-17-18-19)13-7-6-11-4-2-3-5-12(11)9-13/h2-5,10,13H,6-9H2,1H3,(H,20,21)
InChIKeyCCQOSLOTWGIFJZ-UHFFFAOYSA-N
XLogP1.98
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid
CID 107127904
3-[5-(2-ethyloxolan-3-yl)tetrazol-1-yl]butanoic acid
CID 114106456
4-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071658
3-(5-cyclohexyltetrazol-1-yl)-3-cyclopropylpropanoic acid
CID 82002908
3-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]butanoic acid
CID 66041427
2-(5-cyclopropyltetrazol-1-yl)propanoic acid
CID 66042385
ethyl 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-triazole-3-carboxylate
CID 107127655
3-[5-[2-(trifluoromethyl)phenyl]tetrazol-1-yl]butanoic acid
CID 66041023
3-[5-(2,3-dimethylphenyl)tetrazol-1-yl]butanoic acid
CID 66046972
3-[5-(1H-indazol-3-yl)tetrazol-1-yl]butanoic acid
CID 66043033
2-(5-cyclopropyltetrazol-1-yl)-4-methylpentanoic acid
CID 82226090
2-(5-cyclohexyltetrazol-1-yl)-3-methylbutanoic acid
CID 82225934

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid (CID 107127903) is 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid is CC(CC(=O)O)n1nnnc1C1CCc2ccccc2C1.
What is the InChIKey of 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is CCQOSLOTWGIFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(8-14(20)21)19-15(16-17-18-19)13-7-6-11-4-2-3-5-12(11)9-13/h2-5,10,13H,6-9H2,1H3,(H,20,21).
What are the key properties of 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid?
3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 286.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 107127903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).