3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid

C23H29NO4 — CID 67033093

IUPAC3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
SMILESCc1cc(C)cc(COc2ccc(C3CN(CCC(=O)O)CCO3)c(C)c2)c1
InChIInChI=1S/C23H29NO4/c1-16-10-17(2)12-19(11-16)15-28-20-4-5-21(18(3)13-20)22-14-24(8-9-27-22)7-6-23(25)26/h4-5,10-13,22H,6-9,14-15H2,1-3H3,(H,25,26)
InChIKeyZJPPEPVWNRQKNW-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.04
Rot. Bonds7

About 3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid

3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid (PubChem CID 67033093) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
PubChem CID67033093
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
SMILESCc1cc(C)cc(COc2ccc(C3CN(CCC(=O)O)CCO3)c(C)c2)c1
InChIInChI=1S/C23H29NO4/c1-16-10-17(2)12-19(11-16)15-28-20-4-5-21(18(3)13-20)22-14-24(8-9-27-22)7-6-23(25)26/h4-5,10-13,22H,6-9,14-15H2,1-3H3,(H,25,26)
InChIKeyZJPPEPVWNRQKNW-UHFFFAOYSA-N
XLogP4.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032919
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
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
tert-butyl 3-[2-[4-[(4-bromophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate
CID 67032537
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
tert-butyl 3-[2-[4-[(2,3-dimethoxyphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate
CID 67032562
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-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid (CID 67033093) is 3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid is Cc1cc(C)cc(COc2ccc(C3CN(CCC(=O)O)CCO3)c(C)c2)c1.
What is the InChIKey of 3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid?
The InChIKey is ZJPPEPVWNRQKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-16-10-17(2)12-19(11-16)15-28-20-4-5-21(18(3)13-20)22-14-24(8-9-27-22)7-6-23(25)26/h4-5,10-13,22H,6-9,14-15H2,1-3H3,(H,25,26).
What are the key properties of 3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid?
3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid has a molecular weight of 383.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid is sourced from PubChem (CID 67033093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).