methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate

C17H25NO5 — CID 98242648

IUPACmethyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
SMILESCOC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C17H25NO5/c1-12-8-18(9-13(2)23-12)10-15(19)11-22-16-6-4-14(5-7-16)17(20)21-3/h4-7,12-13,15,19H,8-11H2,1-3H3/t12-,13-,15-/m1/s1
InChIKeyZNTAMLNNPDZFSI-UMVBOHGHSA-N
MW323.39 g/mol
LogP1.32
Rot. Bonds6

About methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate

methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate (PubChem CID 98242648) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
PubChem CID98242648
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Namemethyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
SMILESCOC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C17H25NO5/c1-12-8-18(9-13(2)23-12)10-15(19)11-22-16-6-4-14(5-7-16)17(20)21-3/h4-7,12-13,15,19H,8-11H2,1-3H3/t12-,13-,15-/m1/s1
InChIKeyZNTAMLNNPDZFSI-UMVBOHGHSA-N
XLogP1.32
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate with MolForge

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Related Compounds

methyl 4-[(2R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 42559903
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[4-[4-[(2R)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol
CID 124765058
methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 124743616
methyl 4-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]benzoate
CID 47025128
methyl 4-[(2R)-3-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 124743615
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
methyl 4-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzoate
CID 7412586
(2S)-1-(4-cyclohexylphenoxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 6559963
(2S)-1-(4-cyclohexylphenoxy)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7064341

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate?
The IUPAC name of methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate (CID 98242648) is methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate.
What is the SMILES notation for methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate?
The canonical SMILES for methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate is COC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate?
The InChIKey is ZNTAMLNNPDZFSI-UMVBOHGHSA-N. The full InChI is InChI=1S/C17H25NO5/c1-12-8-18(9-13(2)23-12)10-15(19)11-22-16-6-4-14(5-7-16)17(20)21-3/h4-7,12-13,15,19H,8-11H2,1-3H3/t12-,13-,15-/m1/s1.
What are the key properties of methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate?
methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate has a molecular weight of 323.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate is sourced from PubChem (CID 98242648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).