methyl 2,2-dimorpholin-4-ylacetate

C11H20N2O4 — CID 14087944

IUPACmethyl 2,2-dimorpholin-4-ylacetate
SMILESCOC(=O)C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-15-11(14)10(12-2-6-16-7-3-12)13-4-8-17-9-5-13/h10H,2-9H2,1H3
InChIKeyOBALBBZMOPSPAH-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.85
Rot. Bonds3

About methyl 2,2-dimorpholin-4-ylacetate

methyl 2,2-dimorpholin-4-ylacetate (PubChem CID 14087944) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2,2-dimorpholin-4-ylacetate.

Molecular Properties

Compound Namemethyl 2,2-dimorpholin-4-ylacetate
PubChem CID14087944
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 2,2-dimorpholin-4-ylacetate
SMILESCOC(=O)C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-15-11(14)10(12-2-6-16-7-3-12)13-4-8-17-9-5-13/h10H,2-9H2,1H3
InChIKeyOBALBBZMOPSPAH-UHFFFAOYSA-N
XLogP-0.85
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimorpholin-4-ylacetate?
The IUPAC name of methyl 2,2-dimorpholin-4-ylacetate (CID 14087944) is methyl 2,2-dimorpholin-4-ylacetate.
What is the SMILES notation for methyl 2,2-dimorpholin-4-ylacetate?
The canonical SMILES for methyl 2,2-dimorpholin-4-ylacetate is COC(=O)C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of methyl 2,2-dimorpholin-4-ylacetate?
The InChIKey is OBALBBZMOPSPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-15-11(14)10(12-2-6-16-7-3-12)13-4-8-17-9-5-13/h10H,2-9H2,1H3.
What are the key properties of methyl 2,2-dimorpholin-4-ylacetate?
methyl 2,2-dimorpholin-4-ylacetate has a molecular weight of 244.29 g/mol, XLogP of -0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimorpholin-4-ylacetate is sourced from PubChem (CID 14087944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).