![3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid structure](/static/products/2799/2799-12-4.webp)
3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid
TL;DR: 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid (CAS 2799-12-4) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Also Known As: Butanoic acid, (+-)-, 3-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid, N2-Benzyloxycarbonyl-DL-isoasparagin, N2-benzyloxycarbonyl-DL-isoasparagine, 3-([(Benzyloxy)carbonyl]amino)-3-carbamoylpropanoic acid
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 2799-12-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)N |
| InChIKey | AXOUDXRCOBYEFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid (CAS 2799-12-4), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: 4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid
Property Insights of 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid
The XLogP value of -0.1 indicates that 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid. Following Lipinski's Rule of Five, 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid has 3 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 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid?
The CAS number of 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid is 2799-12-4.
What is the molecular formula of 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid?
The molecular formula of 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid is C12H14N2O5.
What is the molecular weight of 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid?
The molecular weight of 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid is 266.09 g/mol.
Where can I buy 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid?
You can request a quote for 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.