| CAS Number | 915302-94-2 |
| Catalog Number | AG00IGQY(AGN-PC-0OMPZP) |
| Chemical Name | 5-Oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3(R,S)-carboxylic acid |
| IUPAC Name | 5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)/t9-,11?/m1/s1 |
| InChI Key | CFGKWSDAMXTRHE-BFHBGLAWSA-N |
| MDL Number | MFCD08690908 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | C[C@@H](N1CC(CC1=O)C(O)=O)C1=CC=CC=C1 |
| Synonyms | 915302-94-2,
5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylic acid,
5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid,
SCHEMBL739575,
5-Oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3(R,S)-carboxylic acid,
CFGKWSDAMXTRHE-BFHBGLAWSA-N,
5-OXO-1-((R)-1-PHENYLETHYL)PYRROLIDINE-3-CARBOXYLIC ACID,
KS-00001V1W,
MFCD08690908,
AKOS015992482,
2W-0339,
2-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-4-carboxylic acid,
3-Pyrrolidinecarboxylic acid, 5-oxo-1-[(1R)-1-phenylethyl]-,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number