![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 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 2.4969 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 658.82684 |
Chemical Identifiers
| CAS Number | 1095270-79-3 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CC(C(=O)O)NCC2=CC=CC=C2 |
Product Overview
3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid (CAS 1095270-79-3), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: 2-(benzylamino)-4-oxo-4-(1-phenylethylamino)butanoic acid.
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 2.4969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid. The TPSA of 78.43 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 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-[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 326.16 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[N-(phenylethyl)carbamoyl]-2-[benzylamino]propanoic acid?
Yes, KEHONG BIO 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.