methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate

C15H21NO5 — CID 754353

IUPACmethyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
SMILESCOC(=O)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C15H21NO5/c1-19-15(18)12-2-4-14(5-3-12)21-11-13(17)10-16-6-8-20-9-7-16/h2-5,13,17H,6-11H2,1H3/t13-/m0/s1
InChIKeyDXTSLKZHVJRFQQ-ZDUSSCGKSA-N
MW295.34 g/mol
LogP0.55
Rot. Bonds6

About methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate

methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate (PubChem CID 754353) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
PubChem CID754353
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
SMILESCOC(=O)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C15H21NO5/c1-19-15(18)12-2-4-14(5-3-12)21-11-13(17)10-16-6-8-20-9-7-16/h2-5,13,17H,6-11H2,1H3/t13-/m0/s1
InChIKeyDXTSLKZHVJRFQQ-ZDUSSCGKSA-N
XLogP0.55
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
methyl 4-[(2R)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoate
CID 52532865
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
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
methyl 4-[(2S)-2-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propoxy]benzoate
CID 34531234
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
methyl 4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoate
CID 1300433
methyl 4-[(2S)-2-hydroxy-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propoxy]benzoate
CID 35170591
methyl 4-[(2R)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]benzoate
CID 25332616
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]-3-phenylpropan-1-one
CID 73349685

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate?
The IUPAC name of methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate (CID 754353) is methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate.
What is the SMILES notation for methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate?
The canonical SMILES for methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate is COC(=O)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1.
What is the InChIKey of methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate?
The InChIKey is DXTSLKZHVJRFQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-15(18)12-2-4-14(5-3-12)21-11-13(17)10-16-6-8-20-9-7-16/h2-5,13,17H,6-11H2,1H3/t13-/m0/s1.
What are the key properties of methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate?
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate has a molecular weight of 295.34 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate is sourced from PubChem (CID 754353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).