2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid

C13H16N4O2 — CID 55034253

IUPAC2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid
SMILESCC(C)(C)c1nnnn1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)12-14-15-16-17(12)10-6-4-9(5-7-10)8-11(18)19/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyLFEFDBVFLZDGFN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.59
Rot. Bonds3

About 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid

2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid (PubChem CID 55034253) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid
PubChem CID55034253
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid
SMILESCC(C)(C)c1nnnn1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)12-14-15-16-17(12)10-6-4-9(5-7-10)8-11(18)19/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyLFEFDBVFLZDGFN-UHFFFAOYSA-N
XLogP1.59
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid (CID 55034253) is 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid is CC(C)(C)c1nnnn1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid?
The InChIKey is LFEFDBVFLZDGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2,3)12-14-15-16-17(12)10-6-4-9(5-7-10)8-11(18)19/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid?
2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid has a molecular weight of 260.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-tert-butyltetrazol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 55034253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).