![3-{[(Benzyloxy)carbonyl]amino}butanoic acid structure](/static/products/835/83509-88-0.png)
3-{[(Benzyloxy)carbonyl]amino}butanoic acid
TL;DR: 3-{[(Benzyloxy)carbonyl]amino}butanoic acid (CAS 83509-88-0) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenylmethoxycarbonylamino)butanoic acid
Also Known As: 3-(((Benzyloxy)carbonyl)amino)butanoic acid, Z-3-Aminobutyric acid, Z-DL-, A-Homoalanine, 3-{[(benzyloxy)carbonyl]amino}butanoic acid
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 83509-88-0 |
|---|---|
| SMILES | CC(CC(=O)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | HYWJKPFAIAWVHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-{[(Benzyloxy)carbonyl]amino}butanoic acid (CAS 83509-88-0), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 3-(phenylmethoxycarbonylamino)butanoic acid.
Chemical Property Profile of 3-{[(Benzyloxy)carbonyl]amino}butanoic acid
Property Insights of 3-{[(Benzyloxy)carbonyl]amino}butanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(Benzyloxy)carbonyl]amino}butanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Benzyloxy)carbonyl]amino}butanoic acid. Following Lipinski's Rule of Five, 3-{[(Benzyloxy)carbonyl]amino}butanoic acid has 2 hydrogen bond donor(s) and 4 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}butanoic acid?
The CAS number of 3-{[(Benzyloxy)carbonyl]amino}butanoic acid is 83509-88-0.
What is the molecular formula of 3-{[(Benzyloxy)carbonyl]amino}butanoic acid?
The molecular formula of 3-{[(Benzyloxy)carbonyl]amino}butanoic acid is C12H15NO4.
What is the molecular weight of 3-{[(Benzyloxy)carbonyl]amino}butanoic acid?
The molecular weight of 3-{[(Benzyloxy)carbonyl]amino}butanoic acid is 237.10 g/mol.
Where can I buy 3-{[(Benzyloxy)carbonyl]amino}butanoic acid?
You can request a quote for 3-{[(Benzyloxy)carbonyl]amino}butanoic 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}butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Benzyloxy)carbonyl]amino}butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.