3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid

C8H11F3N2O4 — CID 154299096

IUPAC3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOCC1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O4/c9-8(10,11)6(14)12-3-5-4-17-2-1-13(5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeyCEUNRSNEJFMZOM-UHFFFAOYSA-N
MW256.18 g/mol
LogP0.04
Rot. Bonds2

About 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid

3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid (PubChem CID 154299096) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
PubChem CID154299096
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Name3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOCC1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O4/c9-8(10,11)6(14)12-3-5-4-17-2-1-13(5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeyCEUNRSNEJFMZOM-UHFFFAOYSA-N
XLogP0.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid?
The IUPAC name of 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid (CID 154299096) is 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid?
The canonical SMILES for 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid is O=C(O)N1CCOCC1CNC(=O)C(F)(F)F.
What is the InChIKey of 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid?
The InChIKey is CEUNRSNEJFMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4/c9-8(10,11)6(14)12-3-5-4-17-2-1-13(5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid?
3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid has a molecular weight of 256.18 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 154299096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).