4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid

C10H15F3N2O4 — CID 115292909

IUPAC4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H15F3N2O4/c1-15(6-10(11,12)13)8(18)14-9(7(16)17)2-4-19-5-3-9/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyYVTQFFMYSUDRAA-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.82
Rot. Bonds3

About 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid

4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid (PubChem CID 115292909) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
PubChem CID115292909
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H15F3N2O4/c1-15(6-10(11,12)13)8(18)14-9(7(16)17)2-4-19-5-3-9/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyYVTQFFMYSUDRAA-UHFFFAOYSA-N
XLogP0.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid (CID 115292909) is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid is CN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid?
The InChIKey is YVTQFFMYSUDRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-15(6-10(11,12)13)8(18)14-9(7(16)17)2-4-19-5-3-9/h2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid?
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).