2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
TL;DR: 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid (CAS 34522-32-2) is a chemical compound with molecular formula C9H18N4O4 and molecular weight 246.13281 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Octopine, probucol, (+)-Octopine, Tris(4-Nitrophenyl)Phosphate, N'-(1-Carboxyethyl)arginine
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18N4O4 |
| Molecular Weight | 246.13281 g/mol |
| XLogP | -3.7 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.13281 Da |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
| SMILES | CC(C(=O)O)NC(CCCN=C(N)N)C(=O)O |
| InChIKey | IMXSCCDUAFEIOE-UHFFFAOYSA-N |
Product Description
Applications: 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid (CAS 34522-32-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid (CAS 34522-32-2) has the molecular formula C9H18N4O4 and a molecular weight of 246.13 g/mol. It is also known as Octopine and probucol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
Property Insights of 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
The XLogP value of -3.7 indicates that 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
The CAS number of 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid is 34522-32-2.
What is the molecular formula of 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
The molecular formula of 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid is C9H18N4O4.
What is the molecular weight of 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
The molecular weight of 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid is 246.13281 g/mol.
What are the applications of 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis....
Where can I buy 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
You can request a quote for 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.