![3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid structure](/static/products/1095/1095270-79-3.webp)
3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid
TL;DR: 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid (CAS 1095270-79-3) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylamino)-4-oxo-4-(1-phenylethylamino)butanoic acid
Also Known As: N~2~-benzyl-N~4~-(1-phenylethyl)asparagine, VU0512742-1, F3177-0004, 2-benzylamino-3-(N-1-phenylethylcarbamoyl)propionic acid, 2-(benzylamino)-3-(1-phenylethylcarbamoyl)propanoic Acid
Technical Specifications
| Molecular Formula | C19H22N2O3 |
| Molecular Weight | 326.16306 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.16306 Da |
| Heavy Atoms | 24 |
| Complexity | 401.0 |
| SMILES | CC(C1=CC=CC=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=C2 |
| InChIKey | ZMRUEYSKKFBKRE-UHFFFAOYSA-N |
Chemical Property Profile of 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid
Property Insights of 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid
The XLogP value of -0.2 indicates that 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid. Following Lipinski's Rule of Five, 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid?
The CAS number of 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid is 1095270-79-3.
What is the molecular formula of 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid?
The molecular formula of 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid is C19H22N2O3.
What is the molecular weight of 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid?
The molecular weight of 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid is 326.16306 g/mol.
Where can I buy 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid?
You can request a quote for 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.