(S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid
TL;DR: (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid (CAS 958983-91-0) is a chemical compound with molecular formula C11H22N2O3 and molecular weight 230.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-(pentylcarbamoylamino)butanoic acid
Also Known As: N-(pentylcarbamoyl)-L-valine, (S)-3-methyl-2-(3-pentylureido)butanoic acid, (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid, (2S)-3-methyl-2-(pentylcarbamoylamino)butanoic acid
| Molecular Formula | C11H22N2O3 |
|---|---|
| Molecular Weight | 230.16 g/mol |
| LogP | 1.585 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.16304 |
| Heavy Atoms | 16 |
| Complexity | 229.26956 |
Chemical Identifiers
| CAS Number | 958983-91-0 |
|---|---|
| SMILES | CCCCCNC(=O)N[C@@H](C(C)C)C(=O)O |
Product Overview
(S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid (CAS 958983-91-0), with molecular formula C11H22N2O3 and molecular weight 230.16 g/mol. IUPAC: (2S)-3-methyl-2-(pentylcarbamoylamino)butanoic acid.
Chemical Property Profile of (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid
Property Insights of (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid
The XLogP value of 1.585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid. Following Lipinski's Rule of Five, (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid has 3 hydrogen bond donor(s) and 2 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 (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid?
The CAS number of (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid is 958983-91-0.
What is the molecular formula of (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid?
The molecular formula of (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid is C11H22N2O3.
What is the molecular weight of (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid?
The molecular weight of (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid is 230.16 g/mol.
Where can I buy (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid?
You can request a quote for (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.