2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid

C11H21NO3 — CID 20991671

IUPAC2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid
SMILESCC1CN(C(C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C11H21NO3/c1-7(2)10(11(13)14)12-5-8(3)15-9(4)6-12/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyIVUIOODROCAWAT-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.20
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid

2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid (PubChem CID 20991671) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid
PubChem CID20991671
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid
SMILESCC1CN(C(C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C11H21NO3/c1-7(2)10(11(13)14)12-5-8(3)15-9(4)6-12/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyIVUIOODROCAWAT-UHFFFAOYSA-N
XLogP1.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid (CID 20991671) is 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid is CC1CN(C(C(=O)O)C(C)C)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid?
The InChIKey is IVUIOODROCAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)10(11(13)14)12-5-8(3)15-9(4)6-12/h7-10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid?
2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoic acid is sourced from PubChem (CID 20991671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).