2-methyl-2-(tetrazol-1-yl)propanoic acid

C5H8N4O2 — CID 6484163

IUPAC2-methyl-2-(tetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1cnnn1
InChIInChI=1S/C5H8N4O2/c1-5(2,4(10)11)9-3-6-7-8-9/h3H,1-2H3,(H,10,11)
InChIKeyJEKIHOYITFILHU-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.51
Rot. Bonds2

About 2-methyl-2-(tetrazol-1-yl)propanoic acid

2-methyl-2-(tetrazol-1-yl)propanoic acid (PubChem CID 6484163) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-methyl-2-(tetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(tetrazol-1-yl)propanoic acid
PubChem CID6484163
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-methyl-2-(tetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1cnnn1
InChIInChI=1S/C5H8N4O2/c1-5(2,4(10)11)9-3-6-7-8-9/h3H,1-2H3,(H,10,11)
InChIKeyJEKIHOYITFILHU-UHFFFAOYSA-N
XLogP-0.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-(tetrazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(tetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(tetrazol-1-yl)propanoic acid (CID 6484163) is 2-methyl-2-(tetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(tetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(tetrazol-1-yl)propanoic acid is CC(C)(C(=O)O)n1cnnn1.
What is the InChIKey of 2-methyl-2-(tetrazol-1-yl)propanoic acid?
The InChIKey is JEKIHOYITFILHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-5(2,4(10)11)9-3-6-7-8-9/h3H,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-(tetrazol-1-yl)propanoic acid?
2-methyl-2-(tetrazol-1-yl)propanoic acid has a molecular weight of 156.15 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(tetrazol-1-yl)propanoic acid is sourced from PubChem (CID 6484163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).