3-hydroxy-4-iodocyclopentane-1-carboxylic acid

C6H9IO3 — CID 146364335

IUPAC3-hydroxy-4-iodocyclopentane-1-carboxylic acid
SMILESO=C(O)C1CC(O)C(I)C1
InChIInChI=1S/C6H9IO3/c7-4-1-3(6(9)10)2-5(4)8/h3-5,8H,1-2H2,(H,9,10)
InChIKeyLUEKTTWQRHRAKN-UHFFFAOYSA-N
MW256.04 g/mol
LogP0.65
Rot. Bonds1

About 3-hydroxy-4-iodocyclopentane-1-carboxylic acid

3-hydroxy-4-iodocyclopentane-1-carboxylic acid (PubChem CID 146364335) has the molecular formula C6H9IO3 and a molecular weight of 256.04 g/mol. Its IUPAC name is 3-hydroxy-4-iodocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-iodocyclopentane-1-carboxylic acid
PubChem CID146364335
Molecular FormulaC6H9IO3
Molecular Weight256.04 g/mol
Exact Mass255.96
IUPAC Name3-hydroxy-4-iodocyclopentane-1-carboxylic acid
SMILESO=C(O)C1CC(O)C(I)C1
InChIInChI=1S/C6H9IO3/c7-4-1-3(6(9)10)2-5(4)8/h3-5,8H,1-2H2,(H,9,10)
InChIKeyLUEKTTWQRHRAKN-UHFFFAOYSA-N
XLogP0.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.04
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-hydroxy-4-iodocyclopentane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-4-iodocyclopentane-1-carboxylic acid (CID 146364335) is 3-hydroxy-4-iodocyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-iodocyclopentane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-iodocyclopentane-1-carboxylic acid is O=C(O)C1CC(O)C(I)C1.
What is the InChIKey of 3-hydroxy-4-iodocyclopentane-1-carboxylic acid?
The InChIKey is LUEKTTWQRHRAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IO3/c7-4-1-3(6(9)10)2-5(4)8/h3-5,8H,1-2H2,(H,9,10).
What are the key properties of 3-hydroxy-4-iodocyclopentane-1-carboxylic acid?
3-hydroxy-4-iodocyclopentane-1-carboxylic acid has a molecular weight of 256.04 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodocyclopentane-1-carboxylic acid is sourced from PubChem (CID 146364335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).