[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

C12H18N2O6 — CID 7395566

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1=COCCO1
InChIInChI=1S/C12H18N2O6/c1-8(2)5-13-12(17)14-10(15)7-20-11(16)9-6-18-3-4-19-9/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyLQQFQERNYUZIOH-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.10
Rot. Bonds5

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 7395566) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID7395566
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1=COCCO1
InChIInChI=1S/C12H18N2O6/c1-8(2)5-13-12(17)14-10(15)7-20-11(16)9-6-18-3-4-19-9/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyLQQFQERNYUZIOH-UHFFFAOYSA-N
XLogP-0.10
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395498
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395510
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 33273438
[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-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538101
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7670898
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504422
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2527547
[2-(3-acetamidoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7825491
[2-(1-adamantylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395527
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
CID 7790099

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 7395566) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is CC(C)CNC(=O)NC(=O)COC(=O)C1=COCCO1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is LQQFQERNYUZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-8(2)5-13-12(17)14-10(15)7-20-11(16)9-6-18-3-4-19-9/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 286.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 7395566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).