2-(2-phenyltetrazol-5-yl)butanoic acid

C11H12N4O2 — CID 66892918

IUPAC2-(2-phenyltetrazol-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O2/c1-2-9(11(16)17)10-12-14-15(13-10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,16,17)
InChIKeyQUONVNZODOHULI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.24
Rot. Bonds4

About 2-(2-phenyltetrazol-5-yl)butanoic acid

2-(2-phenyltetrazol-5-yl)butanoic acid (PubChem CID 66892918) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-phenyltetrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-phenyltetrazol-5-yl)butanoic acid
PubChem CID66892918
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(2-phenyltetrazol-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O2/c1-2-9(11(16)17)10-12-14-15(13-10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,16,17)
InChIKeyQUONVNZODOHULI-UHFFFAOYSA-N
XLogP1.24
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2H-1,2,3,4-tetrazole-5-carboxylic acid
CID 143198
2-[2-(2-Dodecyl-3-fluorophenyl)tetrazol-5-yl]acetic acid
CID 54490433
2-[2-(2-Fluorophenyl)tetrazol-5-yl]acetic acid
CID 82286829
2-[2-(4-Fluorophenyl)tetrazol-5-yl]acetic acid
CID 82286830
2-[2-(3-Fluorophenyl)tetrazol-5-yl]acetic acid
CID 82286831
3-[2-(2-Fluorophenyl)tetrazol-5-yl]propanoic acid
CID 82291534
3-[2-(4-Fluorophenyl)tetrazol-5-yl]propanoic acid
CID 82291535
3-[2-(3-Fluorophenyl)tetrazol-5-yl]propanoic acid
CID 82291536
2-[2-[3-(Trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid
CID 82306209
2-[2-[4-(Trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid
CID 82306210
Ethyl 2-cyano-2-(2,3-diphenyltetrazol-2-ium-5-yl)acetate
CID 101647744
Ethyl 2-(2-phenyltetrazol-5-yl)acetate
CID 17865353

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyltetrazol-5-yl)butanoic acid?
The IUPAC name of 2-(2-phenyltetrazol-5-yl)butanoic acid (CID 66892918) is 2-(2-phenyltetrazol-5-yl)butanoic acid.
What is the SMILES notation for 2-(2-phenyltetrazol-5-yl)butanoic acid?
The canonical SMILES for 2-(2-phenyltetrazol-5-yl)butanoic acid is CCC(C(=O)O)c1nnn(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenyltetrazol-5-yl)butanoic acid?
The InChIKey is QUONVNZODOHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-9(11(16)17)10-12-14-15(13-10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,16,17).
What are the key properties of 2-(2-phenyltetrazol-5-yl)butanoic acid?
2-(2-phenyltetrazol-5-yl)butanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyltetrazol-5-yl)butanoic acid is sourced from PubChem (CID 66892918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).