| CAS Number | 261951-61-5 |
| Catalog Number | AG00I4ZR(AGN-PC-0WR2WY) |
| Chemical Name | (R)-Benzyl 5-oxopyrrolidine-2-carboxylate |
| IUPAC Name | benzyl (2R)-5-oxopyrrolidine-2-carboxylate |
| InChI | InChI=1S/C12H13NO3/c14-11-7-6-10(13-11)12(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m1/s1 |
| InChI Key | NVKOCDGGRHAHOJ-SNVBAGLBSA-N |
| MDL Number | MFCD14635628 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | O=C([C@@H]1NC(=O)CC1)OCC1=CC=CC=C1 |
| Synonyms | (R)-Benzyl 5-oxopyrrolidine-2-carboxylate,
261951-61-5,
benzyl (2R)-5-oxopyrrolidine-2-carboxylate,
(S)-Benzyl 5-oxopyrrolidine-2-carboxylate,
AC1M5M9E,
SCHEMBL13220181,
94885-52-6,
ZINC3264666,
MFCD14635628,
AS-44881,
(2R)-5-Oxo-2beta-pyrrolidinecarboxylic acid benzyl ester,
Benzyl 5-oxoprolinate,
CID2381218,
|
| Complexity | 271 |
| 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 | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number