[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate

C17H25NO6 — CID 844388

IUPAC[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)O[C@H](C)CN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C17H25NO6/c1-12(11-18-5-7-23-8-6-18)24-17(19)13-9-14(20-2)16(22-4)15(10-13)21-3/h9-10,12H,5-8,11H2,1-4H3/t12-/m1/s1
InChIKeyUJWFQGRSIXAHQU-GFCCVEGCSA-N
MW339.39 g/mol
LogP1.59
Rot. Bonds7

About [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate

[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate (PubChem CID 844388) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
PubChem CID844388
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Name[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)O[C@H](C)CN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C17H25NO6/c1-12(11-18-5-7-23-8-6-18)24-17(19)13-9-14(20-2)16(22-4)15(10-13)21-3/h9-10,12H,5-8,11H2,1-4H3/t12-/m1/s1
InChIKeyUJWFQGRSIXAHQU-GFCCVEGCSA-N
XLogP1.59
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 937091
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-2-yl] 3,4,5-trimethoxybenzoate
CID 6549568
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate (CID 844388) is [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate is COc1cc(C(=O)O[C@H](C)CN2CCOCC2)cc(OC)c1OC.
What is the InChIKey of [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate?
The InChIKey is UJWFQGRSIXAHQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25NO6/c1-12(11-18-5-7-23-8-6-18)24-17(19)13-9-14(20-2)16(22-4)15(10-13)21-3/h9-10,12H,5-8,11H2,1-4H3/t12-/m1/s1.
What are the key properties of [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate?
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate has a molecular weight of 339.39 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 844388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).