3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid

C15H24F3NO4 — CID 154746410

IUPAC3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid
SMILESCC(C)CC(C)(CC(=O)O)C(=O)N1CCOC(C(F)(F)F)C1C
InChIInChI=1S/C15H24F3NO4/c1-9(2)7-14(4,8-11(20)21)13(22)19-5-6-23-12(10(19)3)15(16,17)18/h9-10,12H,5-8H2,1-4H3,(H,20,21)
InChIKeyVXCIWVFMFUHTOL-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.69
Rot. Bonds5

About 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid

3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid (PubChem CID 154746410) has the molecular formula C15H24F3NO4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid.

Molecular Properties

Compound Name3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid
PubChem CID154746410
Molecular FormulaC15H24F3NO4
Molecular Weight339.35 g/mol
Exact Mass339.17
IUPAC Name3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid
SMILESCC(C)CC(C)(CC(=O)O)C(=O)N1CCOC(C(F)(F)F)C1C
InChIInChI=1S/C15H24F3NO4/c1-9(2)7-14(4,8-11(20)21)13(22)19-5-6-23-12(10(19)3)15(16,17)18/h9-10,12H,5-8H2,1-4H3,(H,20,21)
InChIKeyVXCIWVFMFUHTOL-UHFFFAOYSA-N
XLogP2.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-[1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidin-3-yl]propanoic acid
CID 103932930
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxylic acid
CID 113872250
(R)-4,4-Dimethyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-pentanoic acid
CID 15975488
4,4-Dimethyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-pentanoic acid
CID 22179883
5,5-Dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)hexanoic acid
CID 68482608
(2R)-5,5-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)hexanoic acid
CID 68482610
cis-(1R,2S)-1-methyl-2-(morpholine-4-carbonyl)cyclobutane-1-carboxylic acid
CID 117840796
1-Methyl-2-(morpholine-4-carbonyl)cyclobutane-1-carboxylic acid
CID 117840799
(2S)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanoic acid
CID 11391238
1-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43437057
1-[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43437058
4-(2,6-Dimethylmorpholin-4-yl)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43437352

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid?
The IUPAC name of 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid (CID 154746410) is 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid.
What is the SMILES notation for 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid?
The canonical SMILES for 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid is CC(C)CC(C)(CC(=O)O)C(=O)N1CCOC(C(F)(F)F)C1C.
What is the InChIKey of 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid?
The InChIKey is VXCIWVFMFUHTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO4/c1-9(2)7-14(4,8-11(20)21)13(22)19-5-6-23-12(10(19)3)15(16,17)18/h9-10,12H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid?
3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid has a molecular weight of 339.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3-[3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]hexanoic acid is sourced from PubChem (CID 154746410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).