4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid

C11H17F3N2O4 — CID 66239572

IUPAC4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H17F3N2O4/c1-6(2)16(5-11(12,13)14)10(19)15-8-4-20-3-7(8)9(17)18/h6-8H,3-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVUEKOFWAUVKWAV-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.07
Rot. Bonds4

About 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66239572) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66239572
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H17F3N2O4/c1-6(2)16(5-11(12,13)14)10(19)15-8-4-20-3-7(8)9(17)18/h6-8H,3-5H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyVUEKOFWAUVKWAV-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66239572) is 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid is CC(C)N(CC(F)(F)F)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is VUEKOFWAUVKWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-6(2)16(5-11(12,13)14)10(19)15-8-4-20-3-7(8)9(17)18/h6-8H,3-5H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).