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

C11H21NO4 — CID 98775795

IUPAC(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one
SMILESCOC[C@](C)(O)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21NO4/c1-8-5-12(6-9(2)16-8)10(13)11(3,14)7-15-4/h8-9,14H,5-7H2,1-4H3/t8-,9+,11-/m0/s1
InChIKeyFIFQDZXZBMEJAL-NGZCFLSTSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds3

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

(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one (PubChem CID 98775795) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one
PubChem CID98775795
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one
SMILESCOC[C@](C)(O)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H21NO4/c1-8-5-12(6-9(2)16-8)10(13)11(3,14)7-15-4/h8-9,14H,5-7H2,1-4H3/t8-,9+,11-/m0/s1
InChIKeyFIFQDZXZBMEJAL-NGZCFLSTSA-N
XLogP0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one with MolForge

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Related Compounds

(2S)-1-[(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2,3-dihydroxypropan-1-one
CID 129256179
2,3-Dihydroxy-2-methyl-1-morpholin-4-ylpropan-1-one
CID 134917712
2,3-Dihydroxy-1-morpholin-4-ylpropan-1-one
CID 134988188
(2R)-2,3-dihydroxy-1-morpholin-4-ylpropan-1-one
CID 135039273
3-(2,2-Difluoroethoxy)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 103209193
1-[6-(Hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 114778588
1-(2,6-Dimethylmorpholin-4-yl)-2-hydroxy-3-methoxy-2-methylpropan-1-one
CID 71857150
2-[2-(diethylamino)-2-oxoethoxy]-3-hydroxy-N,N-dimethylpropanamide
CID 57096663
2-(Hydroxymethyl)-4-methylmorpholin-3-one
CID 74890585
1-[2-(Hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 81208200
2-(2-Hydroxy-2-methylpropoxy)-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 135277875
Methyl 2-hydroxy-3-morpholin-4-yl-3-oxopropanoate
CID 140976952

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one?
The IUPAC name of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one (CID 98775795) is (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one.
What is the SMILES notation for (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one?
The canonical SMILES for (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one is COC[C@](C)(O)C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one?
The InChIKey is FIFQDZXZBMEJAL-NGZCFLSTSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8-5-12(6-9(2)16-8)10(13)11(3,14)7-15-4/h8-9,14H,5-7H2,1-4H3/t8-,9+,11-/m0/s1.
What are the key properties of (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one?
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one has a molecular weight of 231.29 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxy-3-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 98775795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).