2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C12H19F3N2O4 — CID 79263201

IUPAC2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CN(C(=O)CN(CC(=O)O)CC(F)(F)F)CC(C)O1
InChIInChI=1S/C12H19F3N2O4/c1-8-3-17(4-9(2)21-8)10(18)5-16(6-11(19)20)7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyAMWSIPOARCOISV-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.57
Rot. Bonds5

About 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263201) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263201
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CN(C(=O)CN(CC(=O)O)CC(F)(F)F)CC(C)O1
InChIInChI=1S/C12H19F3N2O4/c1-8-3-17(4-9(2)21-8)10(18)5-16(6-11(19)20)7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeyAMWSIPOARCOISV-UHFFFAOYSA-N
XLogP0.57
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263201) is 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CN(C(=O)CN(CC(=O)O)CC(F)(F)F)CC(C)O1.
What is the InChIKey of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is AMWSIPOARCOISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O4/c1-8-3-17(4-9(2)21-8)10(18)5-16(6-11(19)20)7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 312.29 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).