methyl 2-(2,6-dimethylmorpholin-4-yl)acetate

C9H17NO3 — CID 22198251

IUPACmethyl 2-(2,6-dimethylmorpholin-4-yl)acetate
SMILESCOC(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C9H17NO3/c1-7-4-10(5-8(2)13-7)6-9(11)12-3/h7-8H,4-6H2,1-3H3
InChIKeySQMYBHLEAHRHMZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.27
Rot. Bonds2

About methyl 2-(2,6-dimethylmorpholin-4-yl)acetate

methyl 2-(2,6-dimethylmorpholin-4-yl)acetate (PubChem CID 22198251) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-(2,6-dimethylmorpholin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethylmorpholin-4-yl)acetate
PubChem CID22198251
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-(2,6-dimethylmorpholin-4-yl)acetate
SMILESCOC(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C9H17NO3/c1-7-4-10(5-8(2)13-7)6-9(11)12-3/h7-8H,4-6H2,1-3H3
InChIKeySQMYBHLEAHRHMZ-UHFFFAOYSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
CID 28880549
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507566
butyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetate
CID 103936769
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
methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetate
CID 60915647
methyl 2-[3-methyl-5-(methylamino)piperidin-1-yl]acetate
CID 83990030
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104959277
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(methylcarbamoyl)acetamide
CID 8520083
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 25376066
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethylmorpholin-4-yl)acetate?
The IUPAC name of methyl 2-(2,6-dimethylmorpholin-4-yl)acetate (CID 22198251) is methyl 2-(2,6-dimethylmorpholin-4-yl)acetate.
What is the SMILES notation for methyl 2-(2,6-dimethylmorpholin-4-yl)acetate?
The canonical SMILES for methyl 2-(2,6-dimethylmorpholin-4-yl)acetate is COC(=O)CN1CC(C)OC(C)C1.
What is the InChIKey of methyl 2-(2,6-dimethylmorpholin-4-yl)acetate?
The InChIKey is SQMYBHLEAHRHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-4-10(5-8(2)13-7)6-9(11)12-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 2-(2,6-dimethylmorpholin-4-yl)acetate?
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethylmorpholin-4-yl)acetate is sourced from PubChem (CID 22198251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).