2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid

C10H16F3NO5 — CID 161488329

IUPAC2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid
SMILESCC(CN1CCOCC1)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO3.C2HF3O2/c1-7(8(10)11)6-9-2-4-12-5-3-9;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H,10,11);(H,6,7)
InChIKeyWFGRGUBELIANCP-UHFFFAOYSA-N
MW287.23 g/mol
LogP0.67
Rot. Bonds3

About 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid

2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 161488329) has the molecular formula C10H16F3NO5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid
PubChem CID161488329
Molecular FormulaC10H16F3NO5
Molecular Weight287.23 g/mol
Exact Mass287.10
IUPAC Name2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid
SMILESCC(CN1CCOCC1)C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO3.C2HF3O2/c1-7(8(10)11)6-9-2-4-12-5-3-9;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H,10,11);(H,6,7)
InChIKeyWFGRGUBELIANCP-UHFFFAOYSA-N
XLogP0.67
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-3-morpholin-4-ylpropanoic acid hydrochloride
CID 6603192
2-Methyl-3-morpholin-4-ylpropanoic acid
CID 652896
2,2-Dimethyl-3-(morpholin-4-yl)propanoic acid hydrochloride
CID 126809365
2,2-Dimethyl-3-morpholinopropanoic acid
CID 21465515
2-[Difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 51063041
(1,1,1-Trifluoro-3-methylbutan-2-yl) 3-morpholin-4-ylpropanoate
CID 59013009
1,1,1-Trifluoropropan-2-yl 3-morpholin-4-ylpropanoate
CID 59013017
3,3-Difluoropropyl 3-morpholin-4-ylpropanoate
CID 89623682
3,3,3-Trifluoropropyl 3-morpholin-4-ylpropanoate
CID 89623717
3-(3,5-Dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
CID 129185128
3-Morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid
CID 157135837
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962277

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid (CID 161488329) is 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid is CC(CN1CCOCC1)C(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is WFGRGUBELIANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.C2HF3O2/c1-7(8(10)11)6-9-2-4-12-5-3-9;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H,10,11);(H,6,7).
What are the key properties of 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid?
2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 287.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161488329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).