2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid

C22H27NO5 — CID 20993638

IUPAC2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid
SMILESCOc1ccc(C(Cc2ccccc2OCCN2CCOCC2)C(=O)O)cc1
InChIInChI=1S/C22H27NO5/c1-26-19-8-6-17(7-9-19)20(22(24)25)16-18-4-2-3-5-21(18)28-15-12-23-10-13-27-14-11-23/h2-9,20H,10-16H2,1H3,(H,24,25)
InChIKeyPXTNUNCFEFVSTD-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.82
Rot. Bonds9

About 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid

2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid (PubChem CID 20993638) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid
PubChem CID20993638
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid
SMILESCOc1ccc(C(Cc2ccccc2OCCN2CCOCC2)C(=O)O)cc1
InChIInChI=1S/C22H27NO5/c1-26-19-8-6-17(7-9-19)20(22(24)25)16-18-4-2-3-5-21(18)28-15-12-23-10-13-27-14-11-23/h2-9,20H,10-16H2,1H3,(H,24,25)
InChIKeyPXTNUNCFEFVSTD-UHFFFAOYSA-N
XLogP2.82
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid
CID 20993535
2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 22682509
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
3-(2-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954503
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
3-(2-butoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83954499
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
(2S)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 30624445
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20990784
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid?
The IUPAC name of 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid (CID 20993638) is 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid is COc1ccc(C(Cc2ccccc2OCCN2CCOCC2)C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid?
The InChIKey is PXTNUNCFEFVSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-26-19-8-6-17(7-9-19)20(22(24)25)16-18-4-2-3-5-21(18)28-15-12-23-10-13-27-14-11-23/h2-9,20H,10-16H2,1H3,(H,24,25).
What are the key properties of 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid?
2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid has a molecular weight of 385.46 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid is sourced from PubChem (CID 20993638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).