methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
TL;DR: methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate (CAS 1627955-76-3) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
Also Known As: starbld0024239, methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate, rac-Methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate, Methyl (3R, 4S) - 2- Oxo- 4- Phenylpyrrolidine- 3- carboxylate, Methyl (3R,?4S)?-?2-?Oxo-?4-?Phenylpyrrolidine-?3-?carboxylate
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
| SMILES | COC(=O)[C@@H]1[C@H](CNC1=O)C2=CC=CC=C2 |
| InChIKey | BVVGHABCKLTFML-NXEZZACHSA-N |
Chemical Property Profile of methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
Property Insights of methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate?
The CAS number of methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate is 1627955-76-3.
What is the molecular formula of methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate?
The molecular formula of methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate is C12H13NO3.
What is the molecular weight of methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate?
The molecular weight of methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate is 219.08954 g/mol.
Where can I buy methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate?
You can request a quote for methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.