2-(Benzylamino)-2-oxoacetic acid
TL;DR: 2-(Benzylamino)-2-oxoacetic acid (CAS 6345-08-0) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-2-oxoacetic acid
Also Known As: 2-(benzylamino)-2-oxoacetic acid, N-Benzyloxalamic acid, benzyloxamic acid, n-benzyl-oxalamic acid, N-Benzyloxamidic acid
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 6345-08-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C(=O)O |
| InChIKey | GUZSZEGZZYGNJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylamino)-2-oxoacetic acid (CAS 6345-08-0), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 2-(benzylamino)-2-oxoacetic acid.
Chemical Property Profile of 2-(Benzylamino)-2-oxoacetic acid
Property Insights of 2-(Benzylamino)-2-oxoacetic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylamino)-2-oxoacetic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-2-oxoacetic acid. Following Lipinski's Rule of Five, 2-(Benzylamino)-2-oxoacetic acid 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 2-(Benzylamino)-2-oxoacetic acid?
The CAS number of 2-(Benzylamino)-2-oxoacetic acid is 6345-08-0.
What is the molecular formula of 2-(Benzylamino)-2-oxoacetic acid?
The molecular formula of 2-(Benzylamino)-2-oxoacetic acid is C9H9NO3.
What is the molecular weight of 2-(Benzylamino)-2-oxoacetic acid?
The molecular weight of 2-(Benzylamino)-2-oxoacetic acid is 179.06 g/mol.
Where can I buy 2-(Benzylamino)-2-oxoacetic acid?
You can request a quote for 2-(Benzylamino)-2-oxoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)-2-oxoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.