(2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid

C12H19N3O4S — CID 78923251

IUPAC(2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)nc1C
InChIInChI=1S/C12H19N3O4S/c1-3-6-14-8-11(13-9(14)2)20(18,19)15-7-4-5-10(15)12(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyFMMZLUHYKZKEHH-SNVBAGLBSA-N
MW301.37 g/mol
LogP0.84
Rot. Bonds5

About (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid

(2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 78923251) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID78923251
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name(2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)nc1C
InChIInChI=1S/C12H19N3O4S/c1-3-6-14-8-11(13-9(14)2)20(18,19)15-7-4-5-10(15)12(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyFMMZLUHYKZKEHH-SNVBAGLBSA-N
XLogP0.84
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 78923251) is (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid is CCCn1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)nc1C.
What is the InChIKey of (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is FMMZLUHYKZKEHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-3-6-14-8-11(13-9(14)2)20(18,19)15-7-4-5-10(15)12(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
(2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-1-propylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).