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

C10H15F3N2O4 — CID 79258791

IUPAC2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CN(C(=O)N(CC(=O)O)CC(F)(F)F)CCO1
InChIInChI=1S/C10H15F3N2O4/c1-7-4-14(2-3-19-7)9(18)15(5-8(16)17)6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyILMDYVGHKIRVHW-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.78
Rot. Bonds3

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

2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258791) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258791
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CN(C(=O)N(CC(=O)O)CC(F)(F)F)CCO1
InChIInChI=1S/C10H15F3N2O4/c1-7-4-14(2-3-19-7)9(18)15(5-8(16)17)6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyILMDYVGHKIRVHW-UHFFFAOYSA-N
XLogP0.78
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258791) is 2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CN(C(=O)N(CC(=O)O)CC(F)(F)F)CCO1.
What is the InChIKey of 2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ILMDYVGHKIRVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-7-4-14(2-3-19-7)9(18)15(5-8(16)17)6-10(11,12)13/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylmorpholine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).