ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate

C10H17NO4 — CID 60893385

IUPACethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CC(C)OCC1C
InChIInChI=1S/C10H17NO4/c1-4-14-10(13)9(12)11-5-8(3)15-6-7(11)2/h7-8H,4-6H2,1-3H3
InChIKeyVITVPARNPPXZBS-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.19
Rot. Bonds1

About ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate

ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate (PubChem CID 60893385) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate
PubChem CID60893385
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CC(C)OCC1C
InChIInChI=1S/C10H17NO4/c1-4-14-10(13)9(12)11-5-8(3)15-6-7(11)2/h7-8H,4-6H2,1-3H3
InChIKeyVITVPARNPPXZBS-UHFFFAOYSA-N
XLogP0.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate
CID 60893749
(2S)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylpentan-1-one
CID 61172286
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate
CID 7027814
ethyl 6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392282
ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392283
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
ethyl 2-(2-methylpyrrolidin-1-yl)-2-oxoacetate
CID 60973596
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
CID 103515326
1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107022948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate (CID 60893385) is ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate is CCOC(=O)C(=O)N1CC(C)OCC1C.
What is the InChIKey of ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate?
The InChIKey is VITVPARNPPXZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-14-10(13)9(12)11-5-8(3)15-6-7(11)2/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate?
ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate has a molecular weight of 215.25 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate is sourced from PubChem (CID 60893385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).