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

C10H19NO3 — CID 103932975

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H19NO3/c1-7-5-11(6-8(2)14-7)10(12)9(3)13-4/h7-9H,5-6H2,1-4H3/t7-,8+,9?
InChIKeyVNCCBUKTHNVPMB-JVHMLUBASA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds2

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

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one (PubChem CID 103932975) 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-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
PubChem CID103932975
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H19NO3/c1-7-5-11(6-8(2)14-7)10(12)9(3)13-4/h7-9H,5-6H2,1-4H3/t7-,8+,9?
InChIKeyVNCCBUKTHNVPMB-JVHMLUBASA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

(2S,3R)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methoxybutan-1-one
CID 134519515
(2S)-2-bromo-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 124552619
3-amino-1-(2,6-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 106110973
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 104958278
methyl (2S)-2-[[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]propanoate
CID 941681
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 55316324
(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 6554590
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one
CID 51704521
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790142
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 4-bromo-2,5-dimethylfuran-3-carboxylate
CID 97001576

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one (CID 103932975) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one is COC(C)C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one?
The InChIKey is VNCCBUKTHNVPMB-JVHMLUBASA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-5-11(6-8(2)14-7)10(12)9(3)13-4/h7-9H,5-6H2,1-4H3/t7-,8+,9?.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.66, 2 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-methoxypropan-1-one is sourced from PubChem (CID 103932975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).