2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O5 — CID 79264196

IUPAC2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC(=O)CN(CC)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O5/c1-3-15(6-9(19)21-4-2)10(20)16(5-8(17)18)7-11(12,13)14/h3-7H2,1-2H3,(H,17,18)
InChIKeyLEBSNTOZFVCRNO-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.94
Rot. Bonds7

About 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264196) has the molecular formula C11H17F3N2O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264196
Molecular FormulaC11H17F3N2O5
Molecular Weight314.26 g/mol
Exact Mass314.11
IUPAC Name2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC(=O)CN(CC)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O5/c1-3-15(6-9(19)21-4-2)10(20)16(5-8(17)18)7-11(12,13)14/h3-7H2,1-2H3,(H,17,18)
InChIKeyLEBSNTOZFVCRNO-UHFFFAOYSA-N
XLogP0.94
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264196) is 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CCOC(=O)CN(CC)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is LEBSNTOZFVCRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O5/c1-3-15(6-9(19)21-4-2)10(20)16(5-8(17)18)7-11(12,13)14/h3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 314.26 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).