(2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid

C10H15N3O4S — CID 79373542

IUPAC(2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C10H15N3O4S/c1-2-12-6-9(11-7-12)18(16,17)13-5-3-4-8(13)10(14)15/h6-8H,2-5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyJNJKLUNCJIFPCJ-MRVPVSSYSA-N
MW273.31 g/mol
LogP0.14
Rot. Bonds4

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

(2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 79373542) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID79373542
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C10H15N3O4S/c1-2-12-6-9(11-7-12)18(16,17)13-5-3-4-8(13)10(14)15/h6-8H,2-5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyJNJKLUNCJIFPCJ-MRVPVSSYSA-N
XLogP0.14
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 79373542) is (2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid is CCn1cnc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is JNJKLUNCJIFPCJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-2-12-6-9(11-7-12)18(16,17)13-5-3-4-8(13)10(14)15/h6-8H,2-5H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid?
(2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79373542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).