1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
TL;DR: 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate (CAS 88495-54-9) is a chemical compound with molecular formula C11H19NO4 and molecular weight 229.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Also Known As: BOC-D-NIP-OH, (R)-Boc-nipecotic acid, (R)-1-Boc-nipecotic acid, (r)-1-boc-piperidine-3-carboxylic acid, (R)-Boc-Nip-OH
| Molecular Formula | C11H19NO4 |
|---|---|
| Molecular Weight | 229.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.13141 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 88495-54-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)O |
| InChIKey | NXILIHONWRXHFA-MRVPVSSYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate (CAS 88495-54-9), with molecular formula C11H19NO4 and molecular weight 229.13 g/mol. IUPAC: (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
Chemical Property Profile of 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
Property Insights of 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate. Following Lipinski's Rule of Five, 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate has 1 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 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate?
The CAS number of 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate is 88495-54-9.
What is the molecular formula of 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate?
The molecular formula of 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate is C11H19NO4.
What is the molecular weight of 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate?
The molecular weight of 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate is 229.13 g/mol.
Where can I buy 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate?
You can request a quote for 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.