2-(((Benzyloxy)carbonyl)amino)malonic acid
TL;DR: 2-(((Benzyloxy)carbonyl)amino)malonic acid (CAS 77160-91-9) is a chemical compound with molecular formula C11H11NO6 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(phenylmethoxycarbonylamino)propanedioic acid
Also Known As: 2-(((Benzyloxy)carbonyl)amino)malonic acid, CBZ-AMINOMALONIC ACID, Cbz-Aminomalonicacid, 2-(Cbz-amino)malonic Acid, 2-(Cbz-amino)propanedioic acid
| Molecular Formula | C11H11NO6 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.05864 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 77160-91-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C(=O)O)C(=O)O |
| InChIKey | ZWVXUZYECNAQFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(((Benzyloxy)carbonyl)amino)malonic acid (CAS 77160-91-9), with molecular formula C11H11NO6 and molecular weight 253.06 g/mol. IUPAC: 2-(phenylmethoxycarbonylamino)propanedioic acid.
Chemical Property Profile of 2-(((Benzyloxy)carbonyl)amino)malonic acid
Property Insights of 2-(((Benzyloxy)carbonyl)amino)malonic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((Benzyloxy)carbonyl)amino)malonic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((Benzyloxy)carbonyl)amino)malonic acid. Following Lipinski's Rule of Five, 2-(((Benzyloxy)carbonyl)amino)malonic acid has 3 hydrogen bond donor(s) and 6 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-(((Benzyloxy)carbonyl)amino)malonic acid?
The CAS number of 2-(((Benzyloxy)carbonyl)amino)malonic acid is 77160-91-9.
What is the molecular formula of 2-(((Benzyloxy)carbonyl)amino)malonic acid?
The molecular formula of 2-(((Benzyloxy)carbonyl)amino)malonic acid is C11H11NO6.
What is the molecular weight of 2-(((Benzyloxy)carbonyl)amino)malonic acid?
The molecular weight of 2-(((Benzyloxy)carbonyl)amino)malonic acid is 253.06 g/mol.
Where can I buy 2-(((Benzyloxy)carbonyl)amino)malonic acid?
You can request a quote for 2-(((Benzyloxy)carbonyl)amino)malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((Benzyloxy)carbonyl)amino)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((Benzyloxy)carbonyl)amino)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.