3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid

C16H23NO4 — CID 165121323

IUPAC3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid
SMILESCC1(C)CN(c2cccc(C(CO)CC(=O)O)c2)CCO1
InChIInChI=1S/C16H23NO4/c1-16(2)11-17(6-7-21-16)14-5-3-4-12(8-14)13(10-18)9-15(19)20/h3-5,8,13,18H,6-7,9-11H2,1-2H3,(H,19,20)
InChIKeyXIROFJLUVXJLTQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.85
Rot. Bonds5

About 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid

3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid (PubChem CID 165121323) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid
PubChem CID165121323
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid
SMILESCC1(C)CN(c2cccc(C(CO)CC(=O)O)c2)CCO1
InChIInChI=1S/C16H23NO4/c1-16(2)11-17(6-7-21-16)14-5-3-4-12(8-14)13(10-18)9-15(19)20/h3-5,8,13,18H,6-7,9-11H2,1-2H3,(H,19,20)
InChIKeyXIROFJLUVXJLTQ-UHFFFAOYSA-N
XLogP1.85
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid?
The IUPAC name of 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid (CID 165121323) is 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid.
What is the SMILES notation for 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid?
The canonical SMILES for 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid is CC1(C)CN(c2cccc(C(CO)CC(=O)O)c2)CCO1.
What is the InChIKey of 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid?
The InChIKey is XIROFJLUVXJLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2)11-17(6-7-21-16)14-5-3-4-12(8-14)13(10-18)9-15(19)20/h3-5,8,13,18H,6-7,9-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid?
3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid has a molecular weight of 293.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylmorpholin-4-yl)phenyl]-4-hydroxybutanoic acid is sourced from PubChem (CID 165121323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).