3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid

C12H23NO3 — CID 102744531

IUPAC3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-9(6-10(14)15)13-7-11(2,3)16-12(4,5)8-13/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyHQTYLHOYOZATOR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds3

About 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid

3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid (PubChem CID 102744531) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid
PubChem CID102744531
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-9(6-10(14)15)13-7-11(2,3)16-12(4,5)8-13/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyHQTYLHOYOZATOR-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid?
The IUPAC name of 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid (CID 102744531) is 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid.
What is the SMILES notation for 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid?
The canonical SMILES for 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid is CC(CC(=O)O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid?
The InChIKey is HQTYLHOYOZATOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(6-10(14)15)13-7-11(2,3)16-12(4,5)8-13/h9H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid?
3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylmorpholin-4-yl)butanoic acid is sourced from PubChem (CID 102744531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).