5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid

C12H21NO4 — CID 6466741

IUPAC5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21NO4/c1-8(5-12(15)16)4-11(14)13-6-9(2)17-10(3)7-13/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyQUPIUYNKDWUNKQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.12
Rot. Bonds4

About 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid

5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid (PubChem CID 6466741) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
PubChem CID6466741
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H21NO4/c1-8(5-12(15)16)4-11(14)13-6-9(2)17-10(3)7-13/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyQUPIUYNKDWUNKQ-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid (CID 6466741) is 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
The InChIKey is QUPIUYNKDWUNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(5-12(15)16)4-11(14)13-6-9(2)17-10(3)7-13/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 6466741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).