3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid

C13H16ClNO3 — CID 64526362

IUPAC3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)CC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c14-11-4-2-1-3-10(11)12(9-13(16)17)15-5-7-18-8-6-15/h1-4,12H,5-9H2,(H,16,17)
InChIKeyLOEYCWYALXENNO-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.19
Rot. Bonds4

About 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid

3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid (PubChem CID 64526362) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
PubChem CID64526362
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
SMILESO=C(O)CC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C13H16ClNO3/c14-11-4-2-1-3-10(11)12(9-13(16)17)15-5-7-18-8-6-15/h1-4,12H,5-9H2,(H,16,17)
InChIKeyLOEYCWYALXENNO-UHFFFAOYSA-N
XLogP2.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527224
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526750
4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
CID 122030156
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110914972
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528321
3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526353
(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide
CID 134028185

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid (CID 64526362) is 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid is O=C(O)CC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid?
The InChIKey is LOEYCWYALXENNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-11-4-2-1-3-10(11)12(9-13(16)17)15-5-7-18-8-6-15/h1-4,12H,5-9H2,(H,16,17).
What are the key properties of 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid?
3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 64526362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).