2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O4 — CID 79266029

IUPAC2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H17F3N2O4/c1-7(8-3-2-4-20-8)15-10(19)16(5-9(17)18)6-11(12,13)14/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyGRTYAPLDMNNPRX-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.21
Rot. Bonds5

About 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266029) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266029
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(NC(=O)N(CC(=O)O)CC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H17F3N2O4/c1-7(8-3-2-4-20-8)15-10(19)16(5-9(17)18)6-11(12,13)14/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyGRTYAPLDMNNPRX-UHFFFAOYSA-N
XLogP1.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266029) is 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is CC(NC(=O)N(CC(=O)O)CC(F)(F)F)C1CCCO1.
What is the InChIKey of 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GRTYAPLDMNNPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-7(8-3-2-4-20-8)15-10(19)16(5-9(17)18)6-11(12,13)14/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 298.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).