3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid

C15H21NO5 — CID 64526958

IUPAC3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C15H21NO5/c1-19-11-3-4-12(14(9-11)20-2)13(10-15(17)18)16-5-7-21-8-6-16/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyYGSXNVFBIRUKDV-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.55
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid

3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid (PubChem CID 64526958) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
PubChem CID64526958
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2CCOCC2)c(OC)c1
InChIInChI=1S/C15H21NO5/c1-19-11-3-4-12(14(9-11)20-2)13(10-15(17)18)16-5-7-21-8-6-16/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyYGSXNVFBIRUKDV-UHFFFAOYSA-N
XLogP1.55
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16642914
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526750
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600
3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526362
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 2955982
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42804608
(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid (CID 64526958) is 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid is COc1ccc(C(CC(=O)O)N2CCOCC2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid?
The InChIKey is YGSXNVFBIRUKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-11-3-4-12(14(9-11)20-2)13(10-15(17)18)16-5-7-21-8-6-16/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid?
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 64526958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).