(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

C13H22F3N3O2 — CID 100660589

IUPAC(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)[C@H]1CO
InChIInChI=1S/C13H22F3N3O2/c1-9-2-5-19(11(9)7-20)12(21)17-10-3-4-18(6-10)8-13(14,15)16/h9-11,20H,2-8H2,1H3,(H,17,21)/t9-,10-,11+/m1/s1
InChIKeyUDUMQPDMELFSDM-MXWKQRLJSA-N
MW309.33 g/mol
LogP1.04
Rot. Bonds3

About (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 100660589) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID100660589
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)[C@H]1CO
InChIInChI=1S/C13H22F3N3O2/c1-9-2-5-19(11(9)7-20)12(21)17-10-3-4-18(6-10)8-13(14,15)16/h9-11,20H,2-8H2,1H3,(H,17,21)/t9-,10-,11+/m1/s1
InChIKeyUDUMQPDMELFSDM-MXWKQRLJSA-N
XLogP1.04
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3R)-2-(hydroxymethyl)-3-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 129434738
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
(5S)-5-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,4-thiazepane-4-carboxamide
CID 100702160
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
(2S,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 100660886
[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 102787854
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 102738061
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
tert-butyl (2S,4R)-4-fluoro-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 126642847
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 100660589) is (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is C[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)[C@H]1CO.
What is the InChIKey of (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is UDUMQPDMELFSDM-MXWKQRLJSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-9-2-5-19(11(9)7-20)12(21)17-10-3-4-18(6-10)8-13(14,15)16/h9-11,20H,2-8H2,1H3,(H,17,21)/t9-,10-,11+/m1/s1.
What are the key properties of (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(hydroxymethyl)-3-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 100660589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).