2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O4 — CID 79266344

IUPAC2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1COCCN1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-2-8-6-20-4-3-16(8)10(19)15(5-9(17)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyPKLCEFDWGWOIRO-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.17
Rot. Bonds4

About 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266344) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266344
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1COCCN1C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-2-8-6-20-4-3-16(8)10(19)15(5-9(17)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyPKLCEFDWGWOIRO-UHFFFAOYSA-N
XLogP1.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266344) is 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCC1COCCN1C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PKLCEFDWGWOIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-2-8-6-20-4-3-16(8)10(19)15(5-9(17)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 298.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).