2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
TL;DR: 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid (CAS 63358-47-4) is a chemical compound with molecular formula C9H18N4O4 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
Also Known As: (+)-allo-Octopine, N(2)-(2-carboxyethyl)-L-arginine, 2-(2-carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid, CMA
| Molecular Formula | C9H18N4O4 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.13281 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 63358-47-4 |
|---|---|
| SMILES | C(CC(C(=O)O)NCCC(=O)O)CN=C(N)N |
| InChIKey | OHWCFZJEIHZWMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid (CAS 63358-47-4), with molecular formula C9H18N4O4 and molecular weight 246.13 g/mol. IUPAC: 2-(2-carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid.
Chemical Property Profile of 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
Property Insights of 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid
The XLogP value of -4.2 indicates that 2-(2-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-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-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
Frequently Asked Questions
What is the CAS number of 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
The CAS number of 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid is 63358-47-4.
What is the molecular formula of 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
The molecular formula of 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid is C9H18N4O4.
What is the molecular weight of 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
The molecular weight of 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid is 246.13 g/mol.
Where can I buy 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
You can request a quote for 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Carboxyethylamino)-5-(diaminomethylideneamino)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.