4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid

C10H17NO4 — CID 6466368

IUPAC4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid
SMILESCC1CN(C(=O)CCC(=O)O)CC(C)O1
InChIInChI=1S/C10H17NO4/c1-7-5-11(6-8(2)15-7)9(12)3-4-10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyKIPONTMDYFZYLJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.49
Rot. Bonds3

About 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid

4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid (PubChem CID 6466368) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid
PubChem CID6466368
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid
SMILESCC1CN(C(=O)CCC(=O)O)CC(C)O1
InChIInChI=1S/C10H17NO4/c1-7-5-11(6-8(2)15-7)9(12)3-4-10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyKIPONTMDYFZYLJ-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid (CID 6466368) is 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid is CC1CN(C(=O)CCC(=O)O)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid?
The InChIKey is KIPONTMDYFZYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7-5-11(6-8(2)15-7)9(12)3-4-10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid?
4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-4-oxobutanoic acid is sourced from PubChem (CID 6466368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).