methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate

C16H21NO5 — CID 2445011

IUPACmethyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H21NO5/c1-11-8-17(9-12(2)22-11)15(18)10-21-14-7-5-4-6-13(14)16(19)20-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeySUKNSIXBMOCKCL-VXGBXAGGSA-N
MW307.35 g/mol
LogP1.49
Rot. Bonds4

About methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate

methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate (PubChem CID 2445011) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate
PubChem CID2445011
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C16H21NO5/c1-11-8-17(9-12(2)22-11)15(18)10-21-14-7-5-4-6-13(14)16(19)20-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeySUKNSIXBMOCKCL-VXGBXAGGSA-N
XLogP1.49
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate with MolForge

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Related Compounds

2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 7283920
2-(2-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16772853
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867396
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503895
methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzoate
CID 7894206
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
methyl 2-[2-oxo-2-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethoxy]benzoate
CID 164556675
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 4287885
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate (CID 2445011) is methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate?
The InChIKey is SUKNSIXBMOCKCL-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H21NO5/c1-11-8-17(9-12(2)22-11)15(18)10-21-14-7-5-4-6-13(14)16(19)20-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate?
methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate has a molecular weight of 307.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 2445011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).