3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid

C22H27NO4 — CID 67032919

IUPAC3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
SMILESCc1ccc(COc2ccc(C3CN(CCC(=O)O)CCO3)c(C)c2)cc1
InChIInChI=1S/C22H27NO4/c1-16-3-5-18(6-4-16)15-27-19-7-8-20(17(2)13-19)21-14-23(11-12-26-21)10-9-22(24)25/h3-8,13,21H,9-12,14-15H2,1-2H3,(H,24,25)
InChIKeyRQXUTROIBRXQLZ-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.73
Rot. Bonds7

About 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid

3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid (PubChem CID 67032919) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
PubChem CID67032919
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
SMILESCc1ccc(COc2ccc(C3CN(CCC(=O)O)CCO3)c(C)c2)cc1
InChIInChI=1S/C22H27NO4/c1-16-3-5-18(6-4-16)15-27-19-7-8-20(17(2)13-19)21-14-23(11-12-26-21)10-9-22(24)25/h3-8,13,21H,9-12,14-15H2,1-2H3,(H,24,25)
InChIKeyRQXUTROIBRXQLZ-UHFFFAOYSA-N
XLogP3.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 67033093
3-[2-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032139
3-[2-[4-[(4-butylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 51002165
3-[2-[4-[(2-bromophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 51002069
3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 51002016
tert-butyl 3-[2-[4-[(4-bromophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate
CID 67032537
3-[2-[2-methyl-4-[(2,3,4-trimethoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 51002164
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 67032548
3-[2-[4-(1,3-diphenylpropoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 152762805
3-[2-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 87243672
3-[2-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032360
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-2-fluorophenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032572

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid (CID 67032919) is 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid is Cc1ccc(COc2ccc(C3CN(CCC(=O)O)CCO3)c(C)c2)cc1.
What is the InChIKey of 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid?
The InChIKey is RQXUTROIBRXQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-16-3-5-18(6-4-16)15-27-19-7-8-20(17(2)13-19)21-14-23(11-12-26-21)10-9-22(24)25/h3-8,13,21H,9-12,14-15H2,1-2H3,(H,24,25).
What are the key properties of 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid?
3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid has a molecular weight of 369.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid is sourced from PubChem (CID 67032919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).