2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

C11H21NO4 — CID 129351165

IUPAC2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCOCC(=O)N1C[C@H](COC)OC(C)(C)C1
InChIInChI=1S/C11H21NO4/c1-11(2)8-12(10(13)7-15-4)5-9(16-11)6-14-3/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyKLMOPHLKPCINOG-SECBINFHSA-N
MW231.29 g/mol
LogP0.29
Rot. Bonds4

About 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (PubChem CID 129351165) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
PubChem CID129351165
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCOCC(=O)N1C[C@H](COC)OC(C)(C)C1
InChIInChI=1S/C11H21NO4/c1-11(2)8-12(10(13)7-15-4)5-9(16-11)6-14-3/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyKLMOPHLKPCINOG-SECBINFHSA-N
XLogP0.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (CID 129351165) is 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is COCC(=O)N1C[C@H](COC)OC(C)(C)C1.
What is the InChIKey of 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The InChIKey is KLMOPHLKPCINOG-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2)8-12(10(13)7-15-4)5-9(16-11)6-14-3/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone has a molecular weight of 231.29 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 129351165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).