methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate

C17H25NO5 — CID 124743616

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

About methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate

methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate (PubChem CID 124743616) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
PubChem CID124743616
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Namemethyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
SMILESCOC(=O)c1ccc(OC[C@H](O)CN2C[C@H](C)OC[C@H]2C)cc1
InChIInChI=1S/C17H25NO5/c1-12-10-22-13(2)8-18(12)9-15(19)11-23-16-6-4-14(5-7-16)17(20)21-3/h4-7,12-13,15,19H,8-11H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeyZBKPBPKMZOALDP-VNHYZAJKSA-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-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(2R)-1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-(4-ethoxyphenoxy)propan-2-ol
CID 124738646
methyl 4-[(2R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 42559903
methyl 4-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 98242648
1-[3-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 51077725
methyl 4-[(2R)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-hydroxypropoxy]benzoate
CID 94391444
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
2-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]benzonitrile
CID 43544577
methyl 4-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate
CID 7165734
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate
CID 134007278

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate?
The IUPAC name of methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate (CID 124743616) is methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate.
What is the SMILES notation for methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate?
The canonical SMILES for methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate is COC(=O)c1ccc(OC[C@H](O)CN2C[C@H](C)OC[C@H]2C)cc1.
What is the InChIKey of methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate?
The InChIKey is ZBKPBPKMZOALDP-VNHYZAJKSA-N. The full InChI is InChI=1S/C17H25NO5/c1-12-10-22-13(2)8-18(12)9-15(19)11-23-16-6-4-14(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-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate?
methyl 4-[(2R)-3-[(2S,5R)-2,5-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-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate is sourced from PubChem (CID 124743616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).