2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid

C11H12N4O2 — CID 15007312

IUPAC2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-11(2,10(16)17)15-9(12-13-14-15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,17)
InChIKeyQYBZRLFCIHJASY-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid

2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid (PubChem CID 15007312) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
PubChem CID15007312
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-11(2,10(16)17)15-9(12-13-14-15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,17)
InChIKeyQYBZRLFCIHJASY-UHFFFAOYSA-N
XLogP1.16
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid
CID 66042002
2-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
CID 66041204
2-[5-(2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040798
2-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043608
2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid
CID 66040593
2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123561
2-(5-isoquinolin-1-yltetrazol-1-yl)-2-methylpropanoic acid
CID 66042998
2-[5-(3-chloro-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 107101228
2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123559
2-[5-(2,6-difluoro-3-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 82818547
2-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66040997
2-[5-(2,3-dihydro-1-benzofuran-5-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66043197

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid (CID 15007312) is 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid is CC(C)(C(=O)O)n1nnnc1-c1ccccc1.
What is the InChIKey of 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid?
The InChIKey is QYBZRLFCIHJASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-11(2,10(16)17)15-9(12-13-14-15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid?
2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-phenyltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 15007312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).