3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid

C11H17F3N2O4 — CID 103262529

IUPAC3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid
SMILESCC(NCC(C(=O)O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-7(9(17)16-2-4-20-5-3-16)15-6-8(10(18)19)11(12,13)14/h7-8,15H,2-6H2,1H3,(H,18,19)
InChIKeyZSXKIZKZWMUXFY-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.09
Rot. Bonds5

About 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid (PubChem CID 103262529) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid
PubChem CID103262529
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid
SMILESCC(NCC(C(=O)O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-7(9(17)16-2-4-20-5-3-16)15-6-8(10(18)19)11(12,13)14/h7-8,15H,2-6H2,1H3,(H,18,19)
InChIKeyZSXKIZKZWMUXFY-UHFFFAOYSA-N
XLogP0.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid (CID 103262529) is 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid is CC(NCC(C(=O)O)C(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid?
The InChIKey is ZSXKIZKZWMUXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-7(9(17)16-2-4-20-5-3-16)15-6-8(10(18)19)11(12,13)14/h7-8,15H,2-6H2,1H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid has a molecular weight of 298.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]propanoic acid is sourced from PubChem (CID 103262529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).