| CAS Number | 1955474-53-9 |
| Catalog Number | AG01C5P8 |
| Chemical Name | (2S,4R)-1-Benzoyl-4-hydroxypyrrolidine-2-carboxamide |
| IUPAC Name | 1-benzoyl-4-hydroxypyrrolidine-2-carboxamide |
| InChI | InChI=1S/C12H14N2O3/c13-11(16)10-6-9(15)7-14(10)12(17)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2,(H2,13,16) |
| InChI Key | QYKCILOZAVMTLT-UHFFFAOYSA-N |
| MDL Number | MFCD29991463 |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| SMILES | NC([C@H]1N(C(C2=CC=CC=C2)=O)C[C@H](O)C1)=O |
| Synonyms | 1-benzoyl-4-hydroxypyrrolidine-2-carboxamide,
1487043-71-9,
1955474-53-9,
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide,
AKOS013917892,
IMED1238696134,
EN300-259917,
Z1524830247,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.255g/mol |
| Monoisotopic Mass | 234.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number