1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate
TL;DR: 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate (CAS 96920-07-9) is a chemical compound with molecular formula C8H12N2O5 and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid
Also Known As: FMDP, N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid, (2S)-2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid, J1.068.804C, N(3)-(4-Methoxyfumaroyl)-L-2,3-diaminopropionic acid
| Molecular Formula | C8H12N2O5 |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | -1.7563 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.07462 |
| Heavy Atoms | 15 |
| Complexity | 286.75662 |
Chemical Identifiers
| CAS Number | 96920-07-9 |
|---|---|
| SMILES | COC(=O)/C=C/C(=O)NC[C@@H](C(=O)O)N |
Product Overview
1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate (CAS 96920-07-9), with molecular formula C8H12N2O5 and molecular weight 216.07 g/mol. IUPAC: (2S)-2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoic acid.
Chemical Property Profile of 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate
Property Insights of 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate
The XLogP value of -1.7563 indicates that 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate. Following Lipinski's Rule of Five, 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate 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 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate?
The CAS number of 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate is 96920-07-9.
What is the molecular formula of 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate?
The molecular formula of 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate is C8H12N2O5.
What is the molecular weight of 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate?
The molecular weight of 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate is 216.07 g/mol.
Where can I buy 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate?
You can request a quote for 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl (2E)-4-(((2S)-2-amino-2-carboxyethyl)amino)-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.