[2-(iodoamino)-2-oxoethyl] acetate

C4H6INO3 — CID 153083869

IUPAC[2-(iodoamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NI
InChIInChI=1S/C4H6INO3/c1-3(7)9-2-4(8)6-5/h2H2,1H3,(H,6,8)
InChIKeyVNURPSMRJRJAIJ-UHFFFAOYSA-N
MW243.00 g/mol
LogP0.02
Rot. Bonds2

About [2-(iodoamino)-2-oxoethyl] acetate

[2-(iodoamino)-2-oxoethyl] acetate (PubChem CID 153083869) has the molecular formula C4H6INO3 and a molecular weight of 243.00 g/mol. Its IUPAC name is [2-(iodoamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(iodoamino)-2-oxoethyl] acetate
PubChem CID153083869
Molecular FormulaC4H6INO3
Molecular Weight243.00 g/mol
Exact Mass242.94
IUPAC Name[2-(iodoamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NI
InChIInChI=1S/C4H6INO3/c1-3(7)9-2-4(8)6-5/h2H2,1H3,(H,6,8)
InChIKeyVNURPSMRJRJAIJ-UHFFFAOYSA-N
XLogP0.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.00
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601
[2-(3,5-dicarbonochloridoyl-2,4,6-trimethylanilino)-2-oxoethyl] acetate;ethane
CID 168948528
methanol;2-oxopropyl acetate
CID 174729097
[2-(2-hydroxypropylamino)-2-oxoethyl] acetate
CID 53418750
2-oxopropyl acetate;bis(vanadium)
CID 175077929
(3-iodo-2-oxopropyl) acetate
CID 54597592
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate
CID 2108654
bis(2-acetyloxyacetic acid);palladium
CID 156697217
N-iodo-3-oxobutanamide;hydrochloride
CID 175454185
[2-oxo-2-(pentadecylamino)ethyl] acetate
CID 11088732
3-[3,5-bis[(2-acetyloxyacetyl)amino]-2,4,6-triiodophenyl]propanoate
CID 18429372

Frequently Asked Questions

What is the IUPAC name of [2-(iodoamino)-2-oxoethyl] acetate?
The IUPAC name of [2-(iodoamino)-2-oxoethyl] acetate (CID 153083869) is [2-(iodoamino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(iodoamino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(iodoamino)-2-oxoethyl] acetate is CC(=O)OCC(=O)NI.
What is the InChIKey of [2-(iodoamino)-2-oxoethyl] acetate?
The InChIKey is VNURPSMRJRJAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6INO3/c1-3(7)9-2-4(8)6-5/h2H2,1H3,(H,6,8).
What are the key properties of [2-(iodoamino)-2-oxoethyl] acetate?
[2-(iodoamino)-2-oxoethyl] acetate has a molecular weight of 243.00 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(iodoamino)-2-oxoethyl] acetate is sourced from PubChem (CID 153083869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).