Nicotinylalanine
TL;DR: Nicotinylalanine (CAS 137548-54-0) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-oxo-4-pyridin-3-ylbutanoic acid
Also Known As: Nicotinylalanine, nicotylalanine, NICOTINOYLALANINENAL, alpha-Amino-gamma-oxo-3-pyridinebutanoic acid, 2-amino-4-oxo-4-pyridin-3-ylbutanoic acid
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 137548-54-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)CC(C(=O)O)N |
| InChIKey | BOOQPWXVCDYIJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinylalanine (CAS 137548-54-0), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: 2-amino-4-oxo-4-pyridin-3-ylbutanoic acid.
Chemical Property Profile of Nicotinylalanine
Property Insights of Nicotinylalanine
The XLogP value of -3.1 indicates that Nicotinylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinylalanine. Following Lipinski's Rule of Five, Nicotinylalanine has 2 hydrogen bond donor(s) and 5 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 Nicotinylalanine?
The CAS number of Nicotinylalanine is 137548-54-0.
What is the molecular formula of Nicotinylalanine?
The molecular formula of Nicotinylalanine is C9H10N2O3.
What is the molecular weight of Nicotinylalanine?
The molecular weight of Nicotinylalanine is 194.07 g/mol.
Where can I buy Nicotinylalanine?
You can request a quote for Nicotinylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinylalanine?
Yes, KEHONG BIO provides custom synthesis services for Nicotinylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.