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

C11H17F3N2O4 — CID 64892051

IUPAC3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H17F3N2O4/c1-7(2)16(5-11(12,13)14)9(19)15-10(8(17)18)3-4-20-6-10/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyBJBRDCFJBWPCFL-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.21
Rot. Bonds4

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

3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64892051) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64892051
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H17F3N2O4/c1-7(2)16(5-11(12,13)14)9(19)15-10(8(17)18)3-4-20-6-10/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyBJBRDCFJBWPCFL-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64892051) is 3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid is CC(C)N(CC(F)(F)F)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BJBRDCFJBWPCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-7(2)16(5-11(12,13)14)9(19)15-10(8(17)18)3-4-20-6-10/h7H,3-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64892051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).