1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one

C10H19NO3 — CID 107507566

IUPAC1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H19NO3/c1-8-4-11(5-9(2)14-8)6-10(12)7-13-3/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyUMXJJLXJLGRUOA-DTORHVGOSA-N
MW201.27 g/mol
LogP0.31
Rot. Bonds4

About 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one (PubChem CID 107507566) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
PubChem CID107507566
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H19NO3/c1-8-4-11(5-9(2)14-8)6-10(12)7-13-3/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyUMXJJLXJLGRUOA-DTORHVGOSA-N
XLogP0.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
CID 43219275
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxypropyl)acetamide
CID 78787184
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82053854
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402
1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
CID 116593221
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
butyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetate
CID 103936769
ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate
CID 25113400
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(methylcarbamoyl)acetamide
CID 8520083
(2,6-dimethylmorpholin-4-yl)methanethiol
CID 90819554
2-(2,6-dimethylmorpholin-4-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227111

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one (CID 107507566) is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one is COCC(=O)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one?
The InChIKey is UMXJJLXJLGRUOA-DTORHVGOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-4-11(5-9(2)14-8)6-10(12)7-13-3/h8-9H,4-7H2,1-3H3/t8-,9+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one?
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one has a molecular weight of 201.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one is sourced from PubChem (CID 107507566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).