| CAS Number | 63674-70-4 |
| Catalog Number | AG01AI7P(AGN-PC-01P4TQ) |
| Chemical Name | 5-Oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H12N2O5S/c12-19(17,18)9-3-1-2-8(5-9)13-6-7(11(15)16)4-10(13)14/h1-3,5,7H,4,6H2,(H,15,16)(H2,12,17,18) |
| InChI Key | OQZBIRJTOGZMCR-UHFFFAOYSA-N |
| MDL Number | MFCD09812624 |
| Molecular Formula | C11H12N2O5S |
| Molecular Weight | 284.2884 |
| SMILES | NS(C1=CC(N2C(=O)CC(C(O)=O)C2)=CC=C1)(=O)=O |
| Synonyms | 5-OXO-1-(3-SULFAMOYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID,
63674-70-4,
CTK7I6574,
AKOS000161503,
MCULE-6791834834,
NE27795,
EN300-76968,
Z729603772,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.286g/mol |
| Monoisotopic Mass | 284.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
Lot Number