tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
TL;DR: tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS 1167056-91-8) is a chemical compound with molecular formula C10H19NO3 and molecular weight 201.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Also Known As: (S)-1-Boc-(3-Hydroxymethyl)pyrrolidine, tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate, (S)-1-Boc-3-Hydroxymethyl-pyrrolidine, (S)-tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate, (S)-1-Boc-3-(hydroxymethyl)pyrrolidine
| Molecular Formula | C10H19NO3 |
|---|---|
| Molecular Weight | 201.14 g/mol |
| LogP | 1.2357 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.13649 |
| Heavy Atoms | 14 |
| Complexity | 209.90288 |
Chemical Identifiers
| CAS Number | 1167056-91-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC[C@@H](C1)CO |
Product Overview
tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS 1167056-91-8), with molecular formula C10H19NO3 and molecular weight 201.14 g/mol. IUPAC: tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate.
Chemical Property Profile of tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Property Insights of tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
The XLogP value of 1.2357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 49.77 Ų, tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-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
Frequently Asked Questions
What is the CAS number of tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The CAS number of tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate is 1167056-91-8.
What is the molecular formula of tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The molecular formula of tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate is C10H19NO3.
What is the molecular weight of tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The molecular weight of tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate is 201.14 g/mol.
Where can I buy tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
You can request a quote for tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.