4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid

C13H12F3NO4 — CID 115062318

IUPAC4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
SMILESCN1C(=O)COC(c2ccc(C(F)(F)F)cc2)C1C(=O)O
InChIInChI=1S/C13H12F3NO4/c1-17-9(18)6-21-11(10(17)12(19)20)7-2-4-8(5-3-7)13(14,15)16/h2-5,10-11H,6H2,1H3,(H,19,20)
InChIKeyAHVZVELOLIZVDX-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.69
Rot. Bonds2

About 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid

4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid (PubChem CID 115062318) has the molecular formula C13H12F3NO4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
PubChem CID115062318
Molecular FormulaC13H12F3NO4
Molecular Weight303.24 g/mol
Exact Mass303.07
IUPAC Name4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
SMILESCN1C(=O)COC(c2ccc(C(F)(F)F)cc2)C1C(=O)O
InChIInChI=1S/C13H12F3NO4/c1-17-9(18)6-21-11(10(17)12(19)20)7-2-4-8(5-3-7)13(14,15)16/h2-5,10-11H,6H2,1H3,(H,19,20)
InChIKeyAHVZVELOLIZVDX-UHFFFAOYSA-N
XLogP1.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic 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 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid (CID 115062318) is 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid is CN1C(=O)COC(c2ccc(C(F)(F)F)cc2)C1C(=O)O.
What is the InChIKey of 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
The InChIKey is AHVZVELOLIZVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO4/c1-17-9(18)6-21-11(10(17)12(19)20)7-2-4-8(5-3-7)13(14,15)16/h2-5,10-11H,6H2,1H3,(H,19,20).
What are the key properties of 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid?
4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid has a molecular weight of 303.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 115062318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).