| CAS Number | 115795-02-3 |
| Catalog Number | AG00HD21(AGN-PC-0NYUB8) |
| Chemical Name | (2R)-1-benzoylpyrrolidine-2-carboxylic acid |
| IUPAC Name | (2R)-1-benzoylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C12H13NO3/c14-11(9-5-2-1-3-6-9)13-8-4-7-10(13)12(15)16/h1-3,5-6,10H,4,7-8H2,(H,15,16)/t10-/m1/s1 |
| InChI Key | RQYKQWFHJOBBAO-SNVBAGLBSA-N |
| MDL Number | MFCD08310561 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | OC([C@@H]1N(C(C2=CC=CC=C2)=O)CCC1)=O |
| Synonyms | 115795-02-3,
D-Proline, 1-benzoyl-,
(2R)-1-benzoylpyrrolidine-2-carboxylic acid,
(R)-1-Benzoylpyrrolidine-2-carboxylic acid,
ZINC1640068,
MFCD08310561,
AKOS017372639,
Z1455364610,
NSC164034,
CID6988237,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number