2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid
TL;DR: 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid (CAS 5105-63-5) is a chemical compound with molecular formula C9H17N3O and molecular weight 183.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-(1-cyanoethyl)-4-methylpentanamide
Also Known As: L-Leucylalanylnitrile, Leucinamide, N-(1-cyanoethyl)-, (-)-, 2-amino-N-(1-cyanoethyl)-4-methylpentanamide, 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid, RefChem:1062223
| Molecular Formula | C9H17N3O |
|---|---|
| Molecular Weight | 183.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.13716 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5105-63-5 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC(C)C#N)N |
| InChIKey | FWBRQCXGZQIHOY-UHFFFAOYSA-N |
Product Overview
2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid (CAS 5105-63-5), with molecular formula C9H17N3O and molecular weight 183.14 g/mol. IUPAC: 2-amino-N-(1-cyanoethyl)-4-methylpentanamide.
Chemical Property Profile of 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid
Property Insights of 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid. Following Lipinski's Rule of Five, 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid has 2 hydrogen bond donor(s) and 3 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-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid?
The CAS number of 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid is 5105-63-5.
What is the molecular formula of 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid?
The molecular formula of 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid is C9H17N3O.
What is the molecular weight of 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid?
The molecular weight of 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid is 183.14 g/mol.
Where can I buy 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid?
You can request a quote for 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-N-(1-cyanoethyl)-4-methylpentanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.