(2-amino-2-oxoethyl) 2-iodobenzoate

C9H8INO3 — CID 2509670

IUPAC(2-amino-2-oxoethyl) 2-iodobenzoate
SMILESNC(=O)COC(=O)c1ccccc1I
InChIInChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12/h1-4H,5H2,(H2,11,12)
InChIKeyFGLOXTZOFJZHNC-UHFFFAOYSA-N
MW305.07 g/mol
LogP0.93
Rot. Bonds3

About (2-amino-2-oxoethyl) 2-iodobenzoate

(2-amino-2-oxoethyl) 2-iodobenzoate (PubChem CID 2509670) has the molecular formula C9H8INO3 and a molecular weight of 305.07 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-iodobenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-iodobenzoate
PubChem CID2509670
Molecular FormulaC9H8INO3
Molecular Weight305.07 g/mol
Exact Mass304.95
IUPAC Name(2-amino-2-oxoethyl) 2-iodobenzoate
SMILESNC(=O)COC(=O)c1ccccc1I
InChIInChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12/h1-4H,5H2,(H2,11,12)
InChIKeyFGLOXTZOFJZHNC-UHFFFAOYSA-N
XLogP0.93
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.07
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-iodobenzoyl)oxyhexyl 2-iodobenzoate
CID 4926782
N-(2-amino-2-oxoethoxy)-2-iodobenzamide
CID 112550849
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-iodobenzoate
CID 2509775
[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509553
2-iodobenzamide
CID 160670857
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
CID 1337088
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-iodobenzoate
CID 2509700
[2-(2-iodoanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908484
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
CID 4257120
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509496
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-iodobenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-iodobenzoate (CID 2509670) is (2-amino-2-oxoethyl) 2-iodobenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-iodobenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-iodobenzoate is NC(=O)COC(=O)c1ccccc1I.
What is the InChIKey of (2-amino-2-oxoethyl) 2-iodobenzoate?
The InChIKey is FGLOXTZOFJZHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(13)14-5-8(11)12/h1-4H,5H2,(H2,11,12).
What are the key properties of (2-amino-2-oxoethyl) 2-iodobenzoate?
(2-amino-2-oxoethyl) 2-iodobenzoate has a molecular weight of 305.07 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-iodobenzoate is sourced from PubChem (CID 2509670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).