哌啶-3-甲酸
TL;DR: 哌啶-3-甲酸 (CAS 498-95-3) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
哌啶-3-甲酸
piperidine-3-carboxylic acid
Also Known As: nipecotic acid, Piperidine-3-carboxylic acid, 3-Piperidinecarboxylic acid, h-dl-nip-oh, (+/-)-Nipecotic acid
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
| Solubility | 0.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 498-95-3 |
|---|---|
| SMILES | C1CC(CNC1)C(=O)O |
| InChIKey | XJLSEXAGTJCILF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
哌啶-3-甲酸 (CAS 498-95-3), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: piperidine-3-carboxylic acid.
Chemical Property Profile of 哌啶-3-甲酸
Property Insights of 哌啶-3-甲酸
The XLogP value of -2.9 indicates that 哌啶-3-甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, 哌啶-3-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-哌啶甲酸 has 2 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 3-哌啶甲酸?
The CAS number of 3-哌啶甲酸 is 498-95-3.
What is the molecular formula of 3-哌啶甲酸?
The molecular formula of 3-哌啶甲酸 is C6H11NO2.
What is the molecular weight of 3-哌啶甲酸?
The molecular weight of 3-哌啶甲酸 is 129.08 g/mol.
Where can I buy 3-哌啶甲酸?
You can request a quote for 3-哌啶甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-哌啶甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-哌啶甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.