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

C10H15F3N2O4 — CID 66237613

IUPAC4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC(=O)NCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H15F3N2O4/c1-15(2-8(16)14-5-10(11,12)13)7-4-19-3-6(7)9(17)18/h6-7H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyHRWJICRBFVSWHR-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.30
Rot. Bonds5

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

4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid (PubChem CID 66237613) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
PubChem CID66237613
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC(=O)NCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C10H15F3N2O4/c1-15(2-8(16)14-5-10(11,12)13)7-4-19-3-6(7)9(17)18/h6-7H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyHRWJICRBFVSWHR-UHFFFAOYSA-N
XLogP-0.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid (CID 66237613) is 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid is CN(CC(=O)NCC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid?
The InChIKey is HRWJICRBFVSWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-15(2-8(16)14-5-10(11,12)13)7-4-19-3-6(7)9(17)18/h6-7H,2-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).