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

C13H15Cl2NO3 — CID 64527920

IUPAC3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C13H15Cl2NO3/c14-9-1-2-10(11(15)7-9)12(8-13(17)18)16-3-5-19-6-4-16/h1-2,7,12H,3-6,8H2,(H,17,18)
InChIKeyMUEDYYQCMWXMML-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.84
Rot. Bonds4

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

3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid (PubChem CID 64527920) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
PubChem CID64527920
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)CC(c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C13H15Cl2NO3/c14-9-1-2-10(11(15)7-9)12(8-13(17)18)16-3-5-19-6-4-16/h1-2,7,12H,3-6,8H2,(H,17,18)
InChIKeyMUEDYYQCMWXMML-UHFFFAOYSA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526362
3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528321
3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526353
4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid
CID 119352757
3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 114866811
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958
3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526750
3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528121
2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 62226501
4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 3377027
3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527224
(2S)-N-benzyl-2-(2,4-dichlorophenyl)-N-methyl-2-morpholin-4-ylacetamide
CID 95781081

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid (CID 64527920) is 3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid is O=C(O)CC(c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid?
The InChIKey is MUEDYYQCMWXMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c14-9-1-2-10(11(15)7-9)12(8-13(17)18)16-3-5-19-6-4-16/h1-2,7,12H,3-6,8H2,(H,17,18).
What are the key properties of 3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid?
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid has a molecular weight of 304.17 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 64527920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).