4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid

C10H15F3N2O4 — CID 66240183

IUPAC4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CCC(F)(F)F)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C10H15F3N2O4/c1-15(3-2-10(11,12)13)9(18)14-7-5-19-4-6(7)8(16)17/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyXHVFHPRSICHOAO-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.68
Rot. Bonds4

About 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66240183) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66240183
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CCC(F)(F)F)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C10H15F3N2O4/c1-15(3-2-10(11,12)13)9(18)14-7-5-19-4-6(7)8(16)17/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyXHVFHPRSICHOAO-UHFFFAOYSA-N
XLogP0.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66240183) is 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid is CN(CCC(F)(F)F)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is XHVFHPRSICHOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-15(3-2-10(11,12)13)9(18)14-7-5-19-4-6(7)8(16)17/h6-7H,2-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).