[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

C11H16N2O6 — CID 7395498

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC(C)NC(=O)NC(=O)COC(=O)C1=COCCO1
InChIInChI=1S/C11H16N2O6/c1-7(2)12-11(16)13-9(14)6-19-10(15)8-5-17-3-4-18-8/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyZJABTGSHORGSTH-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.35
Rot. Bonds4

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 7395498) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID7395498
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC(C)NC(=O)NC(=O)COC(=O)C1=COCCO1
InChIInChI=1S/C11H16N2O6/c1-7(2)12-11(16)13-9(14)6-19-10(15)8-5-17-3-4-18-8/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14,16)
InChIKeyZJABTGSHORGSTH-UHFFFAOYSA-N
XLogP-0.35
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395566
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395510
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395530
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 18777581
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8763450
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8520166
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395568
[2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7825491
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2127756
[2-(1-adamantylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395527
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341842
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341699

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 7395498) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is CC(C)NC(=O)NC(=O)COC(=O)C1=COCCO1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is ZJABTGSHORGSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-7(2)12-11(16)13-9(14)6-19-10(15)8-5-17-3-4-18-8/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 272.26 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 7395498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).