(2S,5S)-2,5-dimethylmorpholin-3-one

C6H11NO2 — CID 55303247

IUPAC(2S,5S)-2,5-dimethylmorpholin-3-one
SMILESC[C@@H]1OC[C@H](C)NC1=O
InChIInChI=1S/C6H11NO2/c1-4-3-9-5(2)6(8)7-4/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m0/s1
InChIKeyPXUHHGXEYLACSR-WHFBIAKZSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds

About (2S,5S)-2,5-dimethylmorpholin-3-one

(2S,5S)-2,5-dimethylmorpholin-3-one (PubChem CID 55303247) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethylmorpholin-3-one.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethylmorpholin-3-one
PubChem CID55303247
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S,5S)-2,5-dimethylmorpholin-3-one
SMILESC[C@@H]1OC[C@H](C)NC1=O
InChIInChI=1S/C6H11NO2/c1-4-3-9-5(2)6(8)7-4/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m0/s1
InChIKeyPXUHHGXEYLACSR-WHFBIAKZSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethylmorpholine-2,3-dione
CID 3469206
Morpholine-2-carboxamide
CID 15955786
(5R)-5-methylmorpholin-3-one
CID 12400352
(5S)-5-Methylmorpholin-3-one
CID 12400353
(6R)-6-methylmorpholin-3-one
CID 54310878
(6S)-6-methylmorpholin-3-one
CID 57516786
2,6-Dimethylmorpholin-3-one
CID 14243216
N-Methylmorpholine-2-carboxamide
CID 20377550
6-(Aminomethyl)morpholin-3-one hydrochloride
CID 22612261
6-(Aminomethyl)-4-methyl-3-morpholinone
CID 24262147
(2R)-morpholine-2-carboxamide
CID 51600069
(2S,6R)-2,6-dimethylmorpholin-3-one
CID 55287157

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethylmorpholin-3-one?
The IUPAC name of (2S,5S)-2,5-dimethylmorpholin-3-one (CID 55303247) is (2S,5S)-2,5-dimethylmorpholin-3-one.
What is the SMILES notation for (2S,5S)-2,5-dimethylmorpholin-3-one?
The canonical SMILES for (2S,5S)-2,5-dimethylmorpholin-3-one is C[C@@H]1OC[C@H](C)NC1=O.
What is the InChIKey of (2S,5S)-2,5-dimethylmorpholin-3-one?
The InChIKey is PXUHHGXEYLACSR-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-3-9-5(2)6(8)7-4/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethylmorpholin-3-one?
(2S,5S)-2,5-dimethylmorpholin-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethylmorpholin-3-one is sourced from PubChem (CID 55303247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).