(3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid

C8H10F3NO6S — CID 91471055

IUPAC(3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid
SMILESO=C(O)[C@H]1CN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C(=O)O
InChIInChI=1S/C8H10F3NO6S/c9-8(10,11)3-19(17,18)12-1-4(6(13)14)5(2-12)7(15)16/h4-5H,1-3H2,(H,13,14)(H,15,16)/t4-,5-/m0/s1
InChIKeyKXLSZWWJSXCMSJ-WHFBIAKZSA-N
MW305.23 g/mol
LogP-0.40
Rot. Bonds4

About (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid

(3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid (PubChem CID 91471055) has the molecular formula C8H10F3NO6S and a molecular weight of 305.23 g/mol. Its IUPAC name is (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid
PubChem CID91471055
Molecular FormulaC8H10F3NO6S
Molecular Weight305.23 g/mol
Exact Mass305.02
IUPAC Name(3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid
SMILESO=C(O)[C@H]1CN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C(=O)O
InChIInChI=1S/C8H10F3NO6S/c9-8(10,11)3-19(17,18)12-1-4(6(13)14)5(2-12)7(15)16/h4-5H,1-3H2,(H,13,14)(H,15,16)/t4-,5-/m0/s1
InChIKeyKXLSZWWJSXCMSJ-WHFBIAKZSA-N
XLogP-0.40
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid 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

(3R)-1-(difluoromethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 94917755
1-Propylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226885
1-Trifluoromethanesulfonylpyrrolidine-3-carboxylic acid
CID 63032536
1-Difluoromethanesulfonylpyrrolidine-3-carboxylic acid
CID 63032872
1-(2-Methoxy-2-oxoethyl)sulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708359
1-Butylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708368
1-Propan-2-ylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708887
1-(3-Methoxy-3-oxopropyl)sulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709617
1-(1-Methoxy-1-oxopropan-2-yl)sulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709987
1-Ethylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710166
1-(Difluoromethylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721398
4-Methyl-1-(trifluoromethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63722096

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid?
The IUPAC name of (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid (CID 91471055) is (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid.
What is the SMILES notation for (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid?
The canonical SMILES for (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid is O=C(O)[C@H]1CN(S(=O)(=O)CC(F)(F)F)C[C@@H]1C(=O)O.
What is the InChIKey of (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid?
The InChIKey is KXLSZWWJSXCMSJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H10F3NO6S/c9-8(10,11)3-19(17,18)12-1-4(6(13)14)5(2-12)7(15)16/h4-5H,1-3H2,(H,13,14)(H,15,16)/t4-,5-/m0/s1.
What are the key properties of (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid?
(3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid has a molecular weight of 305.23 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2,2,2-trifluoroethylsulfonyl)pyrrolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 91471055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).