1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid

C11H15F3N2O3 — CID 63030908

IUPAC1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-16(8-1-2-8)10(19)15-4-3-7(5-15)9(17)18/h7-8H,1-6H2,(H,17,18)
InChIKeyHYIYRWFOHZKPMG-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.54
Rot. Bonds3

About 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030908) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63030908
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-16(8-1-2-8)10(19)15-4-3-7(5-15)9(17)18/h7-8H,1-6H2,(H,17,18)
InChIKeyHYIYRWFOHZKPMG-UHFFFAOYSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63030908) is 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HYIYRWFOHZKPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)6-16(8-1-2-8)10(19)15-4-3-7(5-15)9(17)18/h7-8H,1-6H2,(H,17,18).
What are the key properties of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 280.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).