methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate

C14H18N2O5S — CID 155517026

IUPACmethyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate
SMILESCCN1C(=O)C[C@@H](C(=O)OC)[C@@H]1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-3-16-12(17)8-11(14(18)21-2)13(16)9-4-6-10(7-5-9)22(15,19)20/h4-7,11,13H,3,8H2,1-2H3,(H2,15,19,20)/t11-,13+/m1/s1
InChIKeyLTVLMZQCEKUIQB-YPMHNXCESA-N
MW326.37 g/mol
LogP0.42
Rot. Bonds4

About methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate

methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate (PubChem CID 155517026) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate
PubChem CID155517026
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Namemethyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate
SMILESCCN1C(=O)C[C@@H](C(=O)OC)[C@@H]1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-3-16-12(17)8-11(14(18)21-2)13(16)9-4-6-10(7-5-9)22(15,19)20/h4-7,11,13H,3,8H2,1-2H3,(H2,15,19,20)/t11-,13+/m1/s1
InChIKeyLTVLMZQCEKUIQB-YPMHNXCESA-N
XLogP0.42
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate (CID 155517026) is methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate is CCN1C(=O)C[C@@H](C(=O)OC)[C@@H]1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate?
The InChIKey is LTVLMZQCEKUIQB-YPMHNXCESA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-3-16-12(17)8-11(14(18)21-2)13(16)9-4-6-10(7-5-9)22(15,19)20/h4-7,11,13H,3,8H2,1-2H3,(H2,15,19,20)/t11-,13+/m1/s1.
What are the key properties of methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate?
methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate has a molecular weight of 326.37 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-1-ethyl-5-oxo-2-(4-sulfamoylphenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 155517026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).