diethyl 2-(morpholine-4-carbonylamino)propanedioate

C12H20N2O6 — CID 79151888

IUPACdiethyl 2-(morpholine-4-carbonylamino)propanedioate
SMILESCCOC(=O)C(NC(=O)N1CCOCC1)C(=O)OCC
InChIInChI=1S/C12H20N2O6/c1-3-19-10(15)9(11(16)20-4-2)13-12(17)14-5-7-18-8-6-14/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeySOSKQQBOHXURCZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.48
Rot. Bonds5

About diethyl 2-(morpholine-4-carbonylamino)propanedioate

diethyl 2-(morpholine-4-carbonylamino)propanedioate (PubChem CID 79151888) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is diethyl 2-(morpholine-4-carbonylamino)propanedioate.

Molecular Properties

Compound Namediethyl 2-(morpholine-4-carbonylamino)propanedioate
PubChem CID79151888
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Namediethyl 2-(morpholine-4-carbonylamino)propanedioate
SMILESCCOC(=O)C(NC(=O)N1CCOCC1)C(=O)OCC
InChIInChI=1S/C12H20N2O6/c1-3-19-10(15)9(11(16)20-4-2)13-12(17)14-5-7-18-8-6-14/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeySOSKQQBOHXURCZ-UHFFFAOYSA-N
XLogP-0.48
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-(1-methoxypentan-2-yl)morpholine-4-carboxamide
CID 116656280
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
N-[(2R)-octan-2-yl]morpholine-4-carboxamide
CID 7815302
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
N-(1-amino-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 79155057
methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
CID 940643
N-(4-amino-4-oxobutan-2-yl)morpholine-4-carboxamide
CID 115665185
N-propylmorpholine-4-carboxamide
CID 3410822
butane;N-methylmorpholine-4-carboxamide;propane
CID 143336598

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(morpholine-4-carbonylamino)propanedioate?
The IUPAC name of diethyl 2-(morpholine-4-carbonylamino)propanedioate (CID 79151888) is diethyl 2-(morpholine-4-carbonylamino)propanedioate.
What is the SMILES notation for diethyl 2-(morpholine-4-carbonylamino)propanedioate?
The canonical SMILES for diethyl 2-(morpholine-4-carbonylamino)propanedioate is CCOC(=O)C(NC(=O)N1CCOCC1)C(=O)OCC.
What is the InChIKey of diethyl 2-(morpholine-4-carbonylamino)propanedioate?
The InChIKey is SOSKQQBOHXURCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-19-10(15)9(11(16)20-4-2)13-12(17)14-5-7-18-8-6-14/h9H,3-8H2,1-2H3,(H,13,17).
What are the key properties of diethyl 2-(morpholine-4-carbonylamino)propanedioate?
diethyl 2-(morpholine-4-carbonylamino)propanedioate has a molecular weight of 288.30 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(morpholine-4-carbonylamino)propanedioate is sourced from PubChem (CID 79151888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).