diethyl 2-morpholin-4-ylpropanedioate

C11H19NO5 — CID 13493499

IUPACdiethyl 2-morpholin-4-ylpropanedioate
SMILESCCOC(=O)C(C(=O)OCC)N1CCOCC1
InChIInChI=1S/C11H19NO5/c1-3-16-10(13)9(11(14)17-4-2)12-5-7-15-8-6-12/h9H,3-8H2,1-2H3
InChIKeyXEBTXHKGDGKJRH-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.19
Rot. Bonds5

About diethyl 2-morpholin-4-ylpropanedioate

diethyl 2-morpholin-4-ylpropanedioate (PubChem CID 13493499) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is diethyl 2-morpholin-4-ylpropanedioate.

Molecular Properties

Compound Namediethyl 2-morpholin-4-ylpropanedioate
PubChem CID13493499
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namediethyl 2-morpholin-4-ylpropanedioate
SMILESCCOC(=O)C(C(=O)OCC)N1CCOCC1
InChIInChI=1S/C11H19NO5/c1-3-16-10(13)9(11(14)17-4-2)12-5-7-15-8-6-12/h9H,3-8H2,1-2H3
InChIKeyXEBTXHKGDGKJRH-UHFFFAOYSA-N
XLogP-0.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-morpholin-4-ylpropanedioate?
The IUPAC name of diethyl 2-morpholin-4-ylpropanedioate (CID 13493499) is diethyl 2-morpholin-4-ylpropanedioate.
What is the SMILES notation for diethyl 2-morpholin-4-ylpropanedioate?
The canonical SMILES for diethyl 2-morpholin-4-ylpropanedioate is CCOC(=O)C(C(=O)OCC)N1CCOCC1.
What is the InChIKey of diethyl 2-morpholin-4-ylpropanedioate?
The InChIKey is XEBTXHKGDGKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-16-10(13)9(11(14)17-4-2)12-5-7-15-8-6-12/h9H,3-8H2,1-2H3.
What are the key properties of diethyl 2-morpholin-4-ylpropanedioate?
diethyl 2-morpholin-4-ylpropanedioate has a molecular weight of 245.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-morpholin-4-ylpropanedioate is sourced from PubChem (CID 13493499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).