1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid

C8H11F3N2O3 — CID 63032073

IUPAC1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)4-12-7(16)13-2-1-5(3-13)6(14)15/h5H,1-4H2,(H,12,16)(H,14,15)
InChIKeyQGIOCMSODKODOZ-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.66
Rot. Bonds2

About 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid

1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63032073) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63032073
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)4-12-7(16)13-2-1-5(3-13)6(14)15/h5H,1-4H2,(H,12,16)(H,14,15)
InChIKeyQGIOCMSODKODOZ-UHFFFAOYSA-N
XLogP0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 155483711
(3R,4S)-4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 155573677
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 55150448
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55150644
1-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55150826
1-[Ethyl(methyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226883
1-(2-Aminoethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227070
4-Methyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55231298
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 55260126
1-[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030908
1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031081
1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031737

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63032073) is 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QGIOCMSODKODOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)4-12-7(16)13-2-1-5(3-13)6(14)15/h5H,1-4H2,(H,12,16)(H,14,15).
What are the key properties of 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid?
1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 240.18 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).