2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O4 — CID 79257860

IUPAC2-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CN(CCO1)C(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-8-4-16(2-3-20-8)9(17)5-15(6-10(18)19)7-11(12,13)14/h8H,2-7H2,1H3,(H,18,19)
InChIKeyOLMKZDVWACVMPX-UHFFFAOYSA-N
MW298.26 g/mol
LogP-1.70
Rot. Bonds5

About 2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257860) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257860
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CN(CCO1)C(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-8-4-16(2-3-20-8)9(17)5-15(6-10(18)19)7-11(12,13)14/h8H,2-7H2,1H3,(H,18,19)
InChIKeyOLMKZDVWACVMPX-UHFFFAOYSA-N
XLogP-1.70
TPSA70.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity362

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257860) is 2-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CN(CCO1)C(=O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OLMKZDVWACVMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-8-4-16(2-3-20-8)9(17)5-15(6-10(18)19)7-11(12,13)14/h8H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 298.26 g/mol, XLogP of -1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).