Methyl (3R, 4S) - 2- Oxo- 4- Phenylpyrrolidine- 3- carboxylate - CAS 1784747-50-7
Catalog: |
BB059074 |
Product Name: |
Methyl (3R, 4S) - 2- Oxo- 4- Phenylpyrrolidine- 3- carboxylate |
CAS: |
1784747-50-7 |
Synonyms: |
methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate; rac-Methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate |
IUPAC Name: | methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate |
Description: | Methyl (3R, 4S) - 2- oxo- 4- Phenylpyrrolidine- 3- carboxylate is a reagent used in the preparation of (S)-Naproxn and (S)-Baclofen. |
Molecular Weight: | 219.24 |
Molecular Formula: | C12H13NO3 |
Canonical SMILES: | COC(=O)C1C(CNC1=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H13NO3/c1-16-12(15)10-9(7-13-11(10)14)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,13,14)/t9-,10-/m1/s1 |
InChI Key: | BVVGHABCKLTFML-NXEZZACHSA-N |
References: | Montoya-Balbas, I. et al. Mol. 20, 22028 (2015). |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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