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Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate
TL;DR: Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate (CAS 3744-87-4) is a chemical compound with molecular formula C9H17NO4 and molecular weight 203.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-Ala-OMe, N-Boc-DL-alanine methyl ester, Boc-D-Ala-OMe, Boc-D-Ala.ome, Boc-DL-Ala-OH
| Molecular Formula | C9H17NO4 |
|---|---|
| Molecular Weight | 203.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 203.11575 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 3744-87-4 |
|---|---|
| SMILES | CC(C(=O)OC)NC(=O)OC(C)(C)C |
| InChIKey | GJDICGOCZGRDFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate (CAS 3744-87-4), with molecular formula C9H17NO4 and molecular weight 203.12 g/mol. IUPAC: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate
Property Insights of Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate. Following Lipinski's Rule of Five, Methyl 2-{[(tert-butoxy)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 2-{[(tert-butoxy)carbonyl]amino}propanoate?
The CAS number of Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate is 3744-87-4.
What is the molecular formula of Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate?
The molecular formula of Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate is C9H17NO4.
What is the molecular weight of Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate?
The molecular weight of Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate is 203.12 g/mol.
Where can I buy Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate?
You can request a quote for Methyl 2-{[(tert-butoxy)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 2-{[(tert-butoxy)carbonyl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.