diethyl 2-ethyl-2-morpholin-4-ylpropanedioate

C13H23NO5 — CID 70381132

IUPACdiethyl 2-ethyl-2-morpholin-4-ylpropanedioate
SMILESCCOC(=O)C(CC)(C(=O)OCC)N1CCOCC1
InChIInChI=1S/C13H23NO5/c1-4-13(11(15)18-5-2,12(16)19-6-3)14-7-9-17-10-8-14/h4-10H2,1-3H3
InChIKeyNGMUNMOVGPPMGB-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.59
Rot. Bonds6

About diethyl 2-ethyl-2-morpholin-4-ylpropanedioate

diethyl 2-ethyl-2-morpholin-4-ylpropanedioate (PubChem CID 70381132) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is diethyl 2-ethyl-2-morpholin-4-ylpropanedioate.

Molecular Properties

Compound Namediethyl 2-ethyl-2-morpholin-4-ylpropanedioate
PubChem CID70381132
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namediethyl 2-ethyl-2-morpholin-4-ylpropanedioate
SMILESCCOC(=O)C(CC)(C(=O)OCC)N1CCOCC1
InChIInChI=1S/C13H23NO5/c1-4-13(11(15)18-5-2,12(16)19-6-3)14-7-9-17-10-8-14/h4-10H2,1-3H3
InChIKeyNGMUNMOVGPPMGB-UHFFFAOYSA-N
XLogP0.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.59
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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Related Compounds

Triethyl 2-morpholino-1,1,2-ethanetricarboxylate
CID 3812720
Ethane-1,1,2,2-tetracarboxylic acid, 1-(4-morpholyl)-, tetramethyl ester
CID 625645
Diethyl (2-morpholinoethyl)malonate
CID 12286790
Diethyl 2-(4-methyl-2-oxomorpholin-3-yl)propanedioate
CID 25214389
Dimethyl 2-piperidin-1-yl-2-prop-2-ynylpropanedioate
CID 101436942
Diethyl (morpholin-4-yl)propanedioate
CID 13493499
Ethyl 2-(morpholin-4-yl)-3-oxobutanoate
CID 20260723
1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate
CID 22069221
2-Methyl-2-morpholin-4-ylpropanedioic acid
CID 22752930
(2R)-2-methyl-2-morpholin-4-ylbutanoic acid
CID 30030650
Diethyl 2-methyl-2-piperidin-1-ylpropanedioate
CID 57180596
Methyl 4-propylmorpholine-3-carboxylate
CID 59215811

Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethyl-2-morpholin-4-ylpropanedioate?
The IUPAC name of diethyl 2-ethyl-2-morpholin-4-ylpropanedioate (CID 70381132) is diethyl 2-ethyl-2-morpholin-4-ylpropanedioate.
What is the SMILES notation for diethyl 2-ethyl-2-morpholin-4-ylpropanedioate?
The canonical SMILES for diethyl 2-ethyl-2-morpholin-4-ylpropanedioate is CCOC(=O)C(CC)(C(=O)OCC)N1CCOCC1.
What is the InChIKey of diethyl 2-ethyl-2-morpholin-4-ylpropanedioate?
The InChIKey is NGMUNMOVGPPMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-4-13(11(15)18-5-2,12(16)19-6-3)14-7-9-17-10-8-14/h4-10H2,1-3H3.
What are the key properties of diethyl 2-ethyl-2-morpholin-4-ylpropanedioate?
diethyl 2-ethyl-2-morpholin-4-ylpropanedioate has a molecular weight of 273.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethyl-2-morpholin-4-ylpropanedioate is sourced from PubChem (CID 70381132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).