4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid

C11H17F3N2O4 — CID 66247266

IUPAC4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
SMILESCCN(CC(=O)NCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C11H17F3N2O4/c1-2-16(3-9(17)15-6-11(12,13)14)8-5-20-4-7(8)10(18)19/h7-8H,2-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyVSDZXEGHSLHXGM-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.09
Rot. Bonds6

About 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid (PubChem CID 66247266) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
PubChem CID66247266
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
SMILESCCN(CC(=O)NCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C11H17F3N2O4/c1-2-16(3-9(17)15-6-11(12,13)14)8-5-20-4-7(8)10(18)19/h7-8H,2-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyVSDZXEGHSLHXGM-UHFFFAOYSA-N
XLogP0.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid (CID 66247266) is 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid is CCN(CC(=O)NCC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid?
The InChIKey is VSDZXEGHSLHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-2-16(3-9(17)15-6-11(12,13)14)8-5-20-4-7(8)10(18)19/h7-8H,2-6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).