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Methyl 3-([(benzyloxy)carbonyl]amino)propanoate
TL;DR: Methyl 3-([(benzyloxy)carbonyl]amino)propanoate (CAS 54755-77-0) 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.
methyl 3-(phenylmethoxycarbonylamino)propanoate
Also Known As: Z-BETA-ALA-OME, Cbz-beta-alanine methyl ester, Methyl 3-([(benzyloxy)carbonyl]amino)propanoate, Cbz-Beta-Ala-Ome, Z-beta-alanine methyl ester
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 54755-77-0 |
|---|---|
| SMILES | COC(=O)CCNC(=O)OCC1=CC=CC=C1 |
| InChIKey | LWSYHFSVQUXZJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-([(benzyloxy)carbonyl]amino)propanoate (CAS 54755-77-0), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: methyl 3-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of Methyl 3-([(benzyloxy)carbonyl]amino)propanoate
Property Insights of Methyl 3-([(benzyloxy)carbonyl]amino)propanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-([(benzyloxy)carbonyl]amino)propanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-([(benzyloxy)carbonyl]amino)propanoate. Following Lipinski's Rule of Five, Methyl 3-([(benzyloxy)carbonyl]amino)propanoate has 1 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 Methyl 3-([(benzyloxy)carbonyl]amino)propanoate?
The CAS number of Methyl 3-([(benzyloxy)carbonyl]amino)propanoate is 54755-77-0.
What is the molecular formula of Methyl 3-([(benzyloxy)carbonyl]amino)propanoate?
The molecular formula of Methyl 3-([(benzyloxy)carbonyl]amino)propanoate is C12H15NO4.
What is the molecular weight of Methyl 3-([(benzyloxy)carbonyl]amino)propanoate?
The molecular weight of Methyl 3-([(benzyloxy)carbonyl]amino)propanoate is 237.10 g/mol.
Where can I buy Methyl 3-([(benzyloxy)carbonyl]amino)propanoate?
You can request a quote for Methyl 3-([(benzyloxy)carbonyl]amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-([(benzyloxy)carbonyl]amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-([(benzyloxy)carbonyl]amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.