methyl 2,6-dimethylmorpholine-3-carboxylate

C8H15NO3 — CID 110192673

IUPACmethyl 2,6-dimethylmorpholine-3-carboxylate
SMILESCOC(=O)C1NCC(C)OC1C
InChIInChI=1S/C8H15NO3/c1-5-4-9-7(6(2)12-5)8(10)11-3/h5-7,9H,4H2,1-3H3
InChIKeyJYYNIZRZHZAGBB-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.08
Rot. Bonds1

About methyl 2,6-dimethylmorpholine-3-carboxylate

methyl 2,6-dimethylmorpholine-3-carboxylate (PubChem CID 110192673) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2,6-dimethylmorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dimethylmorpholine-3-carboxylate
PubChem CID110192673
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2,6-dimethylmorpholine-3-carboxylate
SMILESCOC(=O)C1NCC(C)OC1C
InChIInChI=1S/C8H15NO3/c1-5-4-9-7(6(2)12-5)8(10)11-3/h5-7,9H,4H2,1-3H3
InChIKeyJYYNIZRZHZAGBB-UHFFFAOYSA-N
XLogP-0.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042
methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride
CID 155821210
methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
CID 121226767
methyl 3,4-difluoropyrrolidine-2-carboxylate
CID 171372910
methyl (2R,3R)-3-methylpiperazine-2-carboxylate
CID 154851459
methyl (1S,2R,5R)-3-azabicyclo[3.2.0]heptane-2-carboxylate
CID 136589535
methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
CID 69499214
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
CID 53302300
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
methyl (3R,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
CID 97358975

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethylmorpholine-3-carboxylate?
The IUPAC name of methyl 2,6-dimethylmorpholine-3-carboxylate (CID 110192673) is methyl 2,6-dimethylmorpholine-3-carboxylate.
What is the SMILES notation for methyl 2,6-dimethylmorpholine-3-carboxylate?
The canonical SMILES for methyl 2,6-dimethylmorpholine-3-carboxylate is COC(=O)C1NCC(C)OC1C.
What is the InChIKey of methyl 2,6-dimethylmorpholine-3-carboxylate?
The InChIKey is JYYNIZRZHZAGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-4-9-7(6(2)12-5)8(10)11-3/h5-7,9H,4H2,1-3H3.
What are the key properties of methyl 2,6-dimethylmorpholine-3-carboxylate?
methyl 2,6-dimethylmorpholine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethylmorpholine-3-carboxylate is sourced from PubChem (CID 110192673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).