3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid

C13H15Cl2NO3 — CID 64526353

IUPAC3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)CC(c1cc(Cl)cc(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H15Cl2NO3/c14-10-5-9(6-11(15)7-10)12(8-13(17)18)16-1-3-19-4-2-16/h5-7,12H,1-4,8H2,(H,17,18)
InChIKeyQWDFWLVAVXTARP-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.84
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid

3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid (PubChem CID 64526353) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
PubChem CID64526353
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)CC(c1cc(Cl)cc(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H15Cl2NO3/c14-10-5-9(6-11(15)7-10)12(8-13(17)18)16-1-3-19-4-2-16/h5-7,12H,1-4,8H2,(H,17,18)
InChIKeyQWDFWLVAVXTARP-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-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528321
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528121
3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526362
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
3-(3-bromo-4-methylphenyl)-3-morpholin-4-ylpropanoic acid
CID 105403444
3-(4-bromo-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 81440796
3-(4,5-dibromothiophen-2-yl)-3-morpholin-4-ylpropanoic acid
CID 102844841
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
3-(3,5-dichlorophenyl)pentanedioic acid
CID 10678120
3-(3,5-difluorophenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 106534415

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid (CID 64526353) is 3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid is O=C(O)CC(c1cc(Cl)cc(Cl)c1)N1CCOCC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid?
The InChIKey is QWDFWLVAVXTARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c14-10-5-9(6-11(15)7-10)12(8-13(17)18)16-1-3-19-4-2-16/h5-7,12H,1-4,8H2,(H,17,18).
What are the key properties of 3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid?
3-(3,5-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-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 64526353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).