2-iodo-2-methylpropanoic acid

C4H7IO2 — CID 14143342

IUPAC2-iodo-2-methylpropanoic acid
SMILESCC(C)(I)C(=O)O
InChIInChI=1S/C4H7IO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
InChIKeyXIWYAAPVEZZWFT-UHFFFAOYSA-N
MW214.00 g/mol
LogP1.28
Rot. Bonds1

About 2-iodo-2-methylpropanoic acid

2-iodo-2-methylpropanoic acid (PubChem CID 14143342) has the molecular formula C4H7IO2 and a molecular weight of 214.00 g/mol. Its IUPAC name is 2-iodo-2-methylpropanoic acid.

Molecular Properties

Compound Name2-iodo-2-methylpropanoic acid
PubChem CID14143342
Molecular FormulaC4H7IO2
Molecular Weight214.00 g/mol
Exact Mass213.95
IUPAC Name2-iodo-2-methylpropanoic acid
SMILESCC(C)(I)C(=O)O
InChIInChI=1S/C4H7IO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
InChIKeyXIWYAAPVEZZWFT-UHFFFAOYSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.00
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-iodo-2-methylpropanoic 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-iodo-2-methylpropanoic acid?
The IUPAC name of 2-iodo-2-methylpropanoic acid (CID 14143342) is 2-iodo-2-methylpropanoic acid.
What is the SMILES notation for 2-iodo-2-methylpropanoic acid?
The canonical SMILES for 2-iodo-2-methylpropanoic acid is CC(C)(I)C(=O)O.
What is the InChIKey of 2-iodo-2-methylpropanoic acid?
The InChIKey is XIWYAAPVEZZWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7).
What are the key properties of 2-iodo-2-methylpropanoic acid?
2-iodo-2-methylpropanoic acid has a molecular weight of 214.00 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-methylpropanoic acid is sourced from PubChem (CID 14143342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).