Benzyl 4-hydroxypyrrolidine-2-carboxylate
TL;DR: Benzyl 4-hydroxypyrrolidine-2-carboxylate (CAS 68172-39-4) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-hydroxypyrrolidine-2-carboxylate
Also Known As: H-Hyp-Obzl, NCIOpen2_006615, benzyl 4-hydroxypyrrolidine-2-carboxylate, benzyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 68172-39-4 |
|---|---|
| SMILES | C1C(CNC1C(=O)OCC2=CC=CC=C2)O |
| InChIKey | JRNDKKNYOOZFRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 4-hydroxypyrrolidine-2-carboxylate (CAS 68172-39-4), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: benzyl 4-hydroxypyrrolidine-2-carboxylate.
Chemical Property Profile of Benzyl 4-hydroxypyrrolidine-2-carboxylate
Property Insights of Benzyl 4-hydroxypyrrolidine-2-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 4-hydroxypyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, Benzyl 4-hydroxypyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-hydroxypyrrolidine-2-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl 4-hydroxypyrrolidine-2-carboxylate?
The CAS number of Benzyl 4-hydroxypyrrolidine-2-carboxylate is 68172-39-4.
What is the molecular formula of Benzyl 4-hydroxypyrrolidine-2-carboxylate?
The molecular formula of Benzyl 4-hydroxypyrrolidine-2-carboxylate is C12H15NO3.
What is the molecular weight of Benzyl 4-hydroxypyrrolidine-2-carboxylate?
The molecular weight of Benzyl 4-hydroxypyrrolidine-2-carboxylate is 221.11 g/mol.
Where can I buy Benzyl 4-hydroxypyrrolidine-2-carboxylate?
You can request a quote for Benzyl 4-hydroxypyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-hydroxypyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-hydroxypyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.