cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid

C4H5IO2 — CID 11206614

IUPACcis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1I
InChIInChI=1S/C4H5IO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/m0/s1
InChIKeyJLDDIEQQVGNSGM-STHAYSLISA-N
MW211.99 g/mol
LogP0.89
Rot. Bonds1

About cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid

cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid (PubChem CID 11206614) has the molecular formula C4H5IO2 and a molecular weight of 211.99 g/mol. Its IUPAC name is cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid
PubChem CID11206614
Molecular FormulaC4H5IO2
Molecular Weight211.99 g/mol
Exact Mass211.93
IUPAC Namecis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1I
InChIInChI=1S/C4H5IO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/m0/s1
InChIKeyJLDDIEQQVGNSGM-STHAYSLISA-N
XLogP0.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.99
LogP ≤ 50.89
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 cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid (CID 11206614) is cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1I.
What is the InChIKey of cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid?
The InChIKey is JLDDIEQQVGNSGM-STHAYSLISA-N. The full InChI is InChI=1S/C4H5IO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/m0/s1.
What are the key properties of cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid has a molecular weight of 211.99 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-iodocyclopropane-1-carboxylic acid is sourced from PubChem (CID 11206614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).