2-(Butylamino)-3-methylpentanoic acid
TL;DR: 2-(Butylamino)-3-methylpentanoic acid (CAS 6964-49-4) is a chemical compound with molecular formula C10H21NO2 and molecular weight 187.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-3-methylpentanoic acid
Also Known As: N-Butylisoleucine, 2-(butylamino)-3-methylpentanoic acid
| Molecular Formula | C10H21NO2 |
|---|---|
| Molecular Weight | 187.16 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 187.15723 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 6964-49-4 |
|---|---|
| SMILES | CCCCNC(C(C)CC)C(=O)O |
| InChIKey | IHCWFFPGAOZJBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Butylamino)-3-methylpentanoic acid (CAS 6964-49-4), with molecular formula C10H21NO2 and molecular weight 187.16 g/mol. IUPAC: 2-(butylamino)-3-methylpentanoic acid.
Chemical Property Profile of 2-(Butylamino)-3-methylpentanoic acid
Property Insights of 2-(Butylamino)-3-methylpentanoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butylamino)-3-methylpentanoic acid. With a topological polar surface area (TPSA) of 49.3 Ų, 2-(Butylamino)-3-methylpentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butylamino)-3-methylpentanoic 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-(Butylamino)-3-methylpentanoic acid?
The CAS number of 2-(Butylamino)-3-methylpentanoic acid is 6964-49-4.
What is the molecular formula of 2-(Butylamino)-3-methylpentanoic acid?
The molecular formula of 2-(Butylamino)-3-methylpentanoic acid is C10H21NO2.
What is the molecular weight of 2-(Butylamino)-3-methylpentanoic acid?
The molecular weight of 2-(Butylamino)-3-methylpentanoic acid is 187.16 g/mol.
Where can I buy 2-(Butylamino)-3-methylpentanoic acid?
You can request a quote for 2-(Butylamino)-3-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylamino)-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.