3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid

C14H19NO4 — CID 84752469

IUPAC3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
SMILESCC(Cc1ccc(O)cc1)(C(=O)O)N1CCOCC1
InChIInChI=1S/C14H19NO4/c1-14(13(17)18,15-6-8-19-9-7-15)10-11-2-4-12(16)5-3-11/h2-5,16H,6-10H2,1H3,(H,17,18)
InChIKeyIGKKKXUGRJXTGG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.11
Rot. Bonds4

About 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid

3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid (PubChem CID 84752469) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
PubChem CID84752469
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
SMILESCC(Cc1ccc(O)cc1)(C(=O)O)N1CCOCC1
InChIInChI=1S/C14H19NO4/c1-14(13(17)18,15-6-8-19-9-7-15)10-11-2-4-12(16)5-3-11/h2-5,16H,6-10H2,1H3,(H,17,18)
InChIKeyIGKKKXUGRJXTGG-UHFFFAOYSA-N
XLogP1.11
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid (CID 84752469) is 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid is CC(Cc1ccc(O)cc1)(C(=O)O)N1CCOCC1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
The InChIKey is IGKKKXUGRJXTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(13(17)18,15-6-8-19-9-7-15)10-11-2-4-12(16)5-3-11/h2-5,16H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 84752469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).