3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid

C11H19NO5 — CID 122066306

IUPAC3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
SMILESCOCC1CN(C(=O)C(C)C(=O)O)CC(C)O1
InChIInChI=1S/C11H19NO5/c1-7-4-12(5-9(17-7)6-16-3)10(13)8(2)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeySGLGXQBVKQKNPD-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.03
Rot. Bonds4

About 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid

3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid (PubChem CID 122066306) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
PubChem CID122066306
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
SMILESCOCC1CN(C(=O)C(C)C(=O)O)CC(C)O1
InChIInChI=1S/C11H19NO5/c1-7-4-12(5-9(17-7)6-16-3)10(13)8(2)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeySGLGXQBVKQKNPD-UHFFFAOYSA-N
XLogP-0.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid (CID 122066306) is 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid is COCC1CN(C(=O)C(C)C(=O)O)CC(C)O1.
What is the InChIKey of 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid?
The InChIKey is SGLGXQBVKQKNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-7-4-12(5-9(17-7)6-16-3)10(13)8(2)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid?
3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid has a molecular weight of 245.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 122066306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).