2-(iodocarbamoyl)cyclopropane-1-carboxylic acid

C5H6INO3 — CID 143206767

IUPAC2-(iodocarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NI
InChIInChI=1S/C5H6INO3/c6-7-4(8)2-1-3(2)5(9)10/h2-3H,1H2,(H,7,8)(H,9,10)
InChIKeyVVXLRIBEJZEBDR-UHFFFAOYSA-N
MW255.01 g/mol
LogP0.17
Rot. Bonds2

About 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid

2-(iodocarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 143206767) has the molecular formula C5H6INO3 and a molecular weight of 255.01 g/mol. Its IUPAC name is 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(iodocarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID143206767
Molecular FormulaC5H6INO3
Molecular Weight255.01 g/mol
Exact Mass254.94
IUPAC Name2-(iodocarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NI
InChIInChI=1S/C5H6INO3/c6-7-4(8)2-1-3(2)5(9)10/h2-3H,1H2,(H,7,8)(H,9,10)
InChIKeyVVXLRIBEJZEBDR-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.01
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid (CID 143206767) is 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NI.
What is the InChIKey of 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is VVXLRIBEJZEBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO3/c6-7-4(8)2-1-3(2)5(9)10/h2-3H,1H2,(H,7,8)(H,9,10).
What are the key properties of 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid?
2-(iodocarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 255.01 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodocarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 143206767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).