| CAS Number | 1248551-85-0 |
| Catalog Number | AG01AJPI(AGN-PC-0WO5ME) |
| Chemical Name | 1-methyl-5-oxo-2-(thiophen-2-yl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C10H11NO3S/c1-11-8(12)5-6(10(13)14)9(11)7-3-2-4-15-7/h2-4,6,9H,5H2,1H3,(H,13,14) |
| InChI Key | AAPFIMRYQDNKFR-UHFFFAOYSA-N |
| MDL Number | MFCD07380190 |
| Molecular Formula | C10H11NO3S |
| Molecular Weight | 225.2642 |
| SMILES | CN1C(=O)CC(C(O)=O)C1C1SC=CC=1 |
| Synonyms | 1-methyl-5-oxo-2-(thiophen-2-yl)pyrrolidine-3-carboxylic acid,
1248551-85-0,
AKOS013384722,
MCULE-9766056409,
NE47917,
EN300-81640,
Z1768428971,
1-methyl-5-oxo-2-(2-thienyl)pyrrolidine-3-carboxylic acid,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.262g/mol |
| Monoisotopic Mass | 225.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number