N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C12H19F3N2O2 — CID 54870173

IUPACN-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CC(O)CN1
InChIInChI=1S/C12H19F3N2O2/c1-7(8-2-3-8)17(6-12(13,14)15)11(19)10-4-9(18)5-16-10/h7-10,16,18H,2-6H2,1H3
InChIKeySAFDUPGIVSOLKK-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.90
Rot. Bonds4

About N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 54870173) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID54870173
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CC(O)CN1
InChIInChI=1S/C12H19F3N2O2/c1-7(8-2-3-8)17(6-12(13,14)15)11(19)10-4-9(18)5-16-10/h7-10,16,18H,2-6H2,1H3
InChIKeySAFDUPGIVSOLKK-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 54870173) is N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C1CC(O)CN1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is SAFDUPGIVSOLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-7(8-2-3-8)17(6-12(13,14)15)11(19)10-4-9(18)5-16-10/h7-10,16,18H,2-6H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54870173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).