3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid

C11H18F3NO3 — CID 55148249

IUPAC3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
SMILESCCC1COC(C)CN1C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-3-8-6-18-7(2)5-15(8)9(4-10(16)17)11(12,13)14/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyBEHYWKOLXRMVTD-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.89
Rot. Bonds4

About 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid

3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid (PubChem CID 55148249) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
PubChem CID55148249
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
SMILESCCC1COC(C)CN1C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-3-8-6-18-7(2)5-15(8)9(4-10(16)17)11(12,13)14/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyBEHYWKOLXRMVTD-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-(2,2,2-Trifluoroethyl)morpholin-3-yl)acetic acid hydrochloride
CID 137964431
2-(4-((Tert-butoxy)carbonyl)-6-(trifluoromethyl)morpholin-3-yl)acetic acid
CID 155970364
3-(Morpholin-4-yl)butanoic acid
CID 20447262
1,1,1-Trifluoropropan-2-yl 3-morpholin-4-ylpropanoate
CID 59013017
1-Morpholin-4-ylpropan-2-yl 2,2,4,4,4-pentafluorobutanoate
CID 89623947
3-(3,5-Dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
CID 129185128
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962277
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55124058
3-(4-Ethoxypiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55145766
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
CID 55146697
4,4,4-Trifluoro-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 55147090
3-[Cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
CID 55147674

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid (CID 55148249) is 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid is CCC1COC(C)CN1C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
The InChIKey is BEHYWKOLXRMVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-3-8-6-18-7(2)5-15(8)9(4-10(16)17)11(12,13)14/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 55148249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).