Aspartic acid beta-methyl ester
TL;DR: Aspartic acid beta-methyl ester (CAS 2177-62-0) is a chemical compound with molecular formula C5H9NO4 and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-4-methoxy-4-oxobutanoic acid
Also Known As: H-Asp(OMe)-OH, 4-Methyl hydrogen L-aspartate, (2S)-2-amino-4-methoxy-4-oxobutanoic acid, L-Aspartic acid,4-methyl ester, Aspartic acid 4-methyl ester
| Molecular Formula | C5H9NO4 |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.05316 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 2177-62-0 |
|---|---|
| SMILES | COC(=O)C[C@@H](C(=O)O)N |
| InChIKey | SBRYFUVVWOMLLP-VKHMYHEASA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aspartic acid beta-methyl ester (CAS 2177-62-0), with molecular formula C5H9NO4 and molecular weight 147.05 g/mol. IUPAC: (2S)-2-amino-4-methoxy-4-oxobutanoic acid.
Chemical Property Profile of Aspartic acid beta-methyl ester
Property Insights of Aspartic acid beta-methyl ester
The XLogP value of -2.4 indicates that Aspartic acid beta-methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspartic acid beta-methyl ester. Following Lipinski's Rule of Five, Aspartic acid beta-methyl ester has 2 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 Aspartic acid beta-methyl ester?
The CAS number of Aspartic acid beta-methyl ester is 2177-62-0.
What is the molecular formula of Aspartic acid beta-methyl ester?
The molecular formula of Aspartic acid beta-methyl ester is C5H9NO4.
What is the molecular weight of Aspartic acid beta-methyl ester?
The molecular weight of Aspartic acid beta-methyl ester is 147.05 g/mol.
Where can I buy Aspartic acid beta-methyl ester?
You can request a quote for Aspartic acid beta-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspartic acid beta-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Aspartic acid beta-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.