1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone

C10H19NO3 — CID 2163030

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H19NO3/c1-4-13-7-10(12)11-5-8(2)14-9(3)6-11/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyWMRQNGKEGFQWHV-DTORHVGOSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds3

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone (PubChem CID 2163030) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
PubChem CID2163030
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H19NO3/c1-4-13-7-10(12)11-5-8(2)14-9(3)6-11/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyWMRQNGKEGFQWHV-DTORHVGOSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone with MolForge

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Related Compounds

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-ethoxyethanone
CID 66212770
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate
CID 7027814
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7961238
1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
CID 51076738
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631730
1-(2-ethoxyacetyl)-3-methylpiperidin-4-one
CID 114499683
1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
CID 60687539
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone (CID 2163030) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone is CCOCC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone?
The InChIKey is WMRQNGKEGFQWHV-DTORHVGOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-13-7-10(12)11-5-8(2)14-9(3)6-11/h8-9H,4-7H2,1-3H3/t8-,9+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone has a molecular weight of 201.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone is sourced from PubChem (CID 2163030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).