ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate

C10H17NO4 — CID 7027814

IUPACethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H17NO4/c1-4-14-10(13)9(12)11-5-7(2)15-8(3)6-11/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyUAQDCWBADFTZJK-YUMQZZPRSA-N
MW215.25 g/mol
LogP0.19
Rot. Bonds1

About ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate

ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate (PubChem CID 7027814) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate
PubChem CID7027814
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H17NO4/c1-4-14-10(13)9(12)11-5-7(2)15-8(3)6-11/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyUAQDCWBADFTZJK-YUMQZZPRSA-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
ethyl 2-(3-aminopyrrolidin-1-yl)-2-oxoacetate
CID 62068517
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
CID 131176238
2-(2,6-dimethylmorpholin-4-yl)-N,N-diethyl-2-oxoacetamide
CID 108504011
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
CID 2163030
1-(2,6-dimethylmorpholin-4-yl)-2-(4-ethylpiperazin-1-yl)ethane-1,2-dione
CID 108504048
ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate
CID 60893385
ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
CID 61403502
ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate
CID 25113400
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
ethyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
CID 6024677
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate (CID 7027814) is ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate is CCOC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate?
The InChIKey is UAQDCWBADFTZJK-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-14-10(13)9(12)11-5-7(2)15-8(3)6-11/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate?
ethyl 2-[(2S,6S)-2,6-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-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate is sourced from PubChem (CID 7027814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).