2-cyclopropyl-2-iodoacetic acid

C5H7IO2 — CID 14143351

IUPAC2-cyclopropyl-2-iodoacetic acid
SMILESO=C(O)C(I)C1CC1
InChIInChI=1S/C5H7IO2/c6-4(5(7)8)3-1-2-3/h3-4H,1-2H2,(H,7,8)
InChIKeyUZAOLMPEZSQWFE-UHFFFAOYSA-N
MW226.01 g/mol
LogP1.28
Rot. Bonds2

About 2-cyclopropyl-2-iodoacetic acid

2-cyclopropyl-2-iodoacetic acid (PubChem CID 14143351) has the molecular formula C5H7IO2 and a molecular weight of 226.01 g/mol. Its IUPAC name is 2-cyclopropyl-2-iodoacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-iodoacetic acid
PubChem CID14143351
Molecular FormulaC5H7IO2
Molecular Weight226.01 g/mol
Exact Mass225.95
IUPAC Name2-cyclopropyl-2-iodoacetic acid
SMILESO=C(O)C(I)C1CC1
InChIInChI=1S/C5H7IO2/c6-4(5(7)8)3-1-2-3/h3-4H,1-2H2,(H,7,8)
InChIKeyUZAOLMPEZSQWFE-UHFFFAOYSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-iodoacetic acid?
The IUPAC name of 2-cyclopropyl-2-iodoacetic acid (CID 14143351) is 2-cyclopropyl-2-iodoacetic acid.
What is the SMILES notation for 2-cyclopropyl-2-iodoacetic acid?
The canonical SMILES for 2-cyclopropyl-2-iodoacetic acid is O=C(O)C(I)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-iodoacetic acid?
The InChIKey is UZAOLMPEZSQWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IO2/c6-4(5(7)8)3-1-2-3/h3-4H,1-2H2,(H,7,8).
What are the key properties of 2-cyclopropyl-2-iodoacetic acid?
2-cyclopropyl-2-iodoacetic acid has a molecular weight of 226.01 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-iodoacetic acid is sourced from PubChem (CID 14143351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).