2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid

C9H14F3NO5 — CID 175322286

IUPAC2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CN(CC(=O)O)CCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO3.C2HF3O2/c1-6-4-8(2-3-11-6)5-7(9)10;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,9,10);(H,6,7)/t6-;/m1./s1
InChIKeyARAGJMDVMMOSNK-FYZOBXCZSA-N
MW273.21 g/mol
LogP0.43
Rot. Bonds2

About 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid

2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 175322286) has the molecular formula C9H14F3NO5 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID175322286
Molecular FormulaC9H14F3NO5
Molecular Weight273.21 g/mol
Exact Mass273.08
IUPAC Name2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CN(CC(=O)O)CCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO3.C2HF3O2/c1-6-4-8(2-3-11-6)5-7(9)10;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,9,10);(H,6,7)/t6-;/m1./s1
InChIKeyARAGJMDVMMOSNK-FYZOBXCZSA-N
XLogP0.43
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
4-(2-Hydroxyethyl)-4-methyl-2-oxomorpholinium trifluoroacetate
CID 163203754
2a{[2a(Acetyloxy)a3-(perfluoroalkyl)propyl]dimethylazaniumyl}acetate
CID 165368046
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid
CID 7258521
2,2-Difluoropropyl 2-morpholin-4-ylacetate
CID 58341548
1-Morpholin-4-ylpropan-2-yl 2,2-difluoroacetate
CID 58855390
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate
CID 58855443
1-Morpholin-4-ylpropan-2-yl 2,2,3,3-tetrafluoropropanoate
CID 58855475
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-morpholin-4-ylacetate
CID 59012975
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-piperidin-1-ylacetate
CID 59012979
(4-Morpholinyl)acetic acid trifluoroacetic acid salt
CID 69732510
2-Morpholinoacetaldehyde trifluoroacetate
CID 86665037

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid (CID 175322286) is 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid is C[C@@H]1CN(CC(=O)O)CCO1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is ARAGJMDVMMOSNK-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H13NO3.C2HF3O2/c1-6-4-8(2-3-11-6)5-7(9)10;3-2(4,5)1(6)7/h6H,2-5H2,1H3,(H,9,10);(H,6,7)/t6-;/m1./s1.
What are the key properties of 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid?
2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 273.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylmorpholin-4-yl]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175322286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).