3-Methyl-2-ureido-pentanoic acid
TL;DR: 3-Methyl-2-ureido-pentanoic acid (CAS 42534-06-5) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carbamoylamino)-3-methylpentanoic acid
Also Known As: 3-methyl-2-ureido-pentanoic acid, N-carbamoylisoleucine, N-Carbamyl-L-isoleucine, 2-(carbamoylamino)-3-methylpentanoic acid, DL-Isoleucine, N-(aminocarbonyl)-
| Molecular Formula | C7H14N2O3 |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.10045 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 42534-06-5 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)NC(=O)N |
| InChIKey | AXURSAQTBIXUTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-ureido-pentanoic acid (CAS 42534-06-5), with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol. IUPAC: 2-(carbamoylamino)-3-methylpentanoic acid.
Chemical Property Profile of 3-Methyl-2-ureido-pentanoic acid
Property Insights of 3-Methyl-2-ureido-pentanoic acid
The XLogP value of -0.4 indicates that 3-Methyl-2-ureido-pentanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-ureido-pentanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-ureido-pentanoic acid has 3 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 3-Methyl-2-ureido-pentanoic acid?
The CAS number of 3-Methyl-2-ureido-pentanoic acid is 42534-06-5.
What is the molecular formula of 3-Methyl-2-ureido-pentanoic acid?
The molecular formula of 3-Methyl-2-ureido-pentanoic acid is C7H14N2O3.
What is the molecular weight of 3-Methyl-2-ureido-pentanoic acid?
The molecular weight of 3-Methyl-2-ureido-pentanoic acid is 174.10 g/mol.
Where can I buy 3-Methyl-2-ureido-pentanoic acid?
You can request a quote for 3-Methyl-2-ureido-pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-ureido-pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-ureido-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.