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

C11H17F3N2O3 — CID 63031081

IUPAC1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-4-16(7-11(12,13)14)10(19)15-5-3-8(6-15)9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyMVQXFOZQOXTIJS-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.79
Rot. Bonds4

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

1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031081) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63031081
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-4-16(7-11(12,13)14)10(19)15-5-3-8(6-15)9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyMVQXFOZQOXTIJS-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63031081) is 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCCN(CC(F)(F)F)C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MVQXFOZQOXTIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-4-16(7-11(12,13)14)10(19)15-5-3-8(6-15)9(17)18/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).