Benzyl 3-hydroxypyrrolidine-1-carboxylate
TL;DR: Benzyl 3-hydroxypyrrolidine-1-carboxylate (CAS 103966-66-1) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 3-hydroxypyrrolidine-1-carboxylate
Also Known As: benzyl 3-hydroxypyrrolidine-1-carboxylate, N-Cbz-3-hydroxypyrrolidine, null, (S)-(+)-1-Cbz-3-pyrrolidinol, (R)-(-)-1-Cbz-3-pyrrolidinol
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.1052 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.1052 Da |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
| SMILES | C1CN(CC1O)C(=O)OCC2=CC=CC=C2 |
| InChIKey | MBLJFGOKYTZKMH-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 3-hydroxypyrrolidine-1-carboxylate
Property Insights of Benzyl 3-hydroxypyrrolidine-1-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-hydroxypyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 49.8 Ų, Benzyl 3-hydroxypyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-hydroxypyrrolidine-1-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 Benzyl 3-hydroxypyrrolidine-1-carboxylate?
The CAS number of Benzyl 3-hydroxypyrrolidine-1-carboxylate is 103966-66-1.
What is the molecular formula of Benzyl 3-hydroxypyrrolidine-1-carboxylate?
The molecular formula of Benzyl 3-hydroxypyrrolidine-1-carboxylate is C12H15NO3.
What is the molecular weight of Benzyl 3-hydroxypyrrolidine-1-carboxylate?
The molecular weight of Benzyl 3-hydroxypyrrolidine-1-carboxylate is 221.1052 g/mol.
Where can I buy Benzyl 3-hydroxypyrrolidine-1-carboxylate?
You can request a quote for Benzyl 3-hydroxypyrrolidine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 3-hydroxypyrrolidine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Benzyl 3-hydroxypyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.