ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate

C13H15NO5 — CID 3756954

IUPACethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C13H15NO5/c1-2-17-12(15)7-14-13(16)11-8-18-9-5-3-4-6-10(9)19-11/h3-6,11H,2,7-8H2,1H3,(H,14,16)
InChIKeyJKSQZWGUPHQXOM-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.51
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate

ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate (PubChem CID 3756954) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate
PubChem CID3756954
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C13H15NO5/c1-2-17-12(15)7-14-13(16)11-8-18-9-5-3-4-6-10(9)19-11/h3-6,11H,2,7-8H2,1H3,(H,14,16)
InChIKeyJKSQZWGUPHQXOM-UHFFFAOYSA-N
XLogP0.51
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-1,4-Benzodioxane-2-carbonyl piperazine
CID 2735449
(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine
CID 16714
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (2-hydroxy-ethyl)-amide
CID 585104
2-(Isopropyl(methyl)amino)ethyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate hydrochloride
CID 2893826
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide
CID 3135701
N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 425322
Quiloflex
CID 16828
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperidine
CID 3125219
N-Ethyl-2,3-dihydro-1,4-benzodioxin-2-methanamine
CID 30614
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 3911564
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 24686871
2,3-Dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanone
CID 2867174

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate?
The IUPAC name of ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate (CID 3756954) is ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate is CCOC(=O)CNC(=O)C1COc2ccccc2O1.
What is the InChIKey of ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate?
The InChIKey is JKSQZWGUPHQXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-2-17-12(15)7-14-13(16)11-8-18-9-5-3-4-6-10(9)19-11/h3-6,11H,2,7-8H2,1H3,(H,14,16).
What are the key properties of ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate?
ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate has a molecular weight of 265.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)acetate is sourced from PubChem (CID 3756954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).