| CAS Number | 114037-63-7 |
| Catalog Number | AG00IVTD(AGN-PC-0NYCX3) |
| Chemical Name | (2S)-1-(ethanesulfonyl)pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-ethylsulfonylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C7H13NO4S/c1-2-13(11,12)8-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10) |
| InChI Key | GGJDUYLRCTXJAW-UHFFFAOYSA-N |
| MDL Number | MFCD09863564 |
| Molecular Formula | C7H13NO4S |
| Molecular Weight | 207.2474 |
| SMILES | CCS(N1[C@H](C(O)=O)CCC1)(=O)=O |
| Synonyms | N-(ethylsulfonyl)-DL-proline,
1-Ethanesulfonyl-pyrrolidine-2-carboxylic acid,
1-(ethylsulfonyl)pyrrolidine-2-carboxylic acid,
1-(ethanesulfonyl)pyrrolidine-2-carboxylic acid,
114037-63-7,
ethylsulfonylDLproline,
AC1Q38DB,
SCHEMBL7305308,
CTK6G4673,
MFCD08262286,
SBB093874,
AKOS000264289,
AKOS016340703,
MCULE-1000733137,
RP12084,
SS-3962,
KS-00002B46,
TR-056810,
EN300-16091,
Z-1157,
Z53825414,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.244g/mol |
| Monoisotopic Mass | 207.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number