3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid

C7H12F3N3O4S — CID 107323993

IUPAC3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O4S/c8-7(9,10)3-12-18(16,17)13-2-1-6(11,4-13)5(14)15/h12H,1-4,11H2,(H,14,15)
InChIKeyLUKCMBUTHVIVIX-UHFFFAOYSA-N
MW291.25 g/mol
LogP-1.13
Rot. Bonds4

About 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323993) has the molecular formula C7H12F3N3O4S and a molecular weight of 291.25 g/mol. Its IUPAC name is 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
PubChem CID107323993
Molecular FormulaC7H12F3N3O4S
Molecular Weight291.25 g/mol
Exact Mass291.05
IUPAC Name3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O4S/c8-7(9,10)3-12-18(16,17)13-2-1-6(11,4-13)5(14)15/h12H,1-4,11H2,(H,14,15)
InChIKeyLUKCMBUTHVIVIX-UHFFFAOYSA-N
XLogP-1.13
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic 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

3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324162
3-propan-2-yl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 106982852
3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324102
3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
CID 107323968
1-(ethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114806141
2-[4-(2,2,2-trifluoroethylsulfamoyl)-1,4-diazepan-1-yl]acetic acid
CID 114805951
3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 107324867
4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
CID 130490742
3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323953
(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 102984427
4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114803495
3-amino-1-(2-bromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323812

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid (CID 107323993) is 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LUKCMBUTHVIVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O4S/c8-7(9,10)3-12-18(16,17)13-2-1-6(11,4-13)5(14)15/h12H,1-4,11H2,(H,14,15).
What are the key properties of 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 291.25 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).