2-(2-iodoethenylamino)oxyacetic acid

C4H6INO3 — CID 57199610

IUPAC2-(2-iodoethenylamino)oxyacetic acid
SMILESO=C(O)CONC=CI
InChIInChI=1S/C4H6INO3/c5-1-2-6-9-3-4(7)8/h1-2,6H,3H2,(H,7,8)
InChIKeyQKVVKNISYKOJGZ-UHFFFAOYSA-N
MW243.00 g/mol
LogP0.50
Rot. Bonds4

About 2-(2-iodoethenylamino)oxyacetic acid

2-(2-iodoethenylamino)oxyacetic acid (PubChem CID 57199610) has the molecular formula C4H6INO3 and a molecular weight of 243.00 g/mol. Its IUPAC name is 2-(2-iodoethenylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(2-iodoethenylamino)oxyacetic acid
PubChem CID57199610
Molecular FormulaC4H6INO3
Molecular Weight243.00 g/mol
Exact Mass242.94
IUPAC Name2-(2-iodoethenylamino)oxyacetic acid
SMILESO=C(O)CONC=CI
InChIInChI=1S/C4H6INO3/c5-1-2-6-9-3-4(7)8/h1-2,6H,3H2,(H,7,8)
InChIKeyQKVVKNISYKOJGZ-UHFFFAOYSA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.00
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethenylamino)oxyacetic acid?
The IUPAC name of 2-(2-iodoethenylamino)oxyacetic acid (CID 57199610) is 2-(2-iodoethenylamino)oxyacetic acid.
What is the SMILES notation for 2-(2-iodoethenylamino)oxyacetic acid?
The canonical SMILES for 2-(2-iodoethenylamino)oxyacetic acid is O=C(O)CONC=CI.
What is the InChIKey of 2-(2-iodoethenylamino)oxyacetic acid?
The InChIKey is QKVVKNISYKOJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6INO3/c5-1-2-6-9-3-4(7)8/h1-2,6H,3H2,(H,7,8).
What are the key properties of 2-(2-iodoethenylamino)oxyacetic acid?
2-(2-iodoethenylamino)oxyacetic acid has a molecular weight of 243.00 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethenylamino)oxyacetic acid is sourced from PubChem (CID 57199610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).