![3-[(2-Phenylethyl)carbamoyl]propanoic acid structure](/static/products/1083/1083-55-2.webp)
3-[(2-Phenylethyl)carbamoyl]propanoic acid
TL;DR: 3-[(2-Phenylethyl)carbamoyl]propanoic acid (CAS 1083-55-2) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(2-phenylethylamino)butanoic acid
Also Known As: N-Phenethylsuccinamic acid, Polystyrene A-COOH, PESA, Succinamic acid, N-phenethyl-, 4-oxo-4-(phenethylamino)butanoic acid
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.2101 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 348.54132 |
Chemical Identifiers
| CAS Number | 1083-55-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CCC(=O)O |
Product Overview
3-[(2-Phenylethyl)carbamoyl]propanoic acid (CAS 1083-55-2), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 4-oxo-4-(2-phenylethylamino)butanoic acid.
Chemical Property Profile of 3-[(2-Phenylethyl)carbamoyl]propanoic acid
Property Insights of 3-[(2-Phenylethyl)carbamoyl]propanoic acid
The XLogP value of 1.2101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Phenylethyl)carbamoyl]propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Phenylethyl)carbamoyl]propanoic acid. Following Lipinski's Rule of Five, 3-[(2-Phenylethyl)carbamoyl]propanoic acid has 2 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 3-[(2-Phenylethyl)carbamoyl]propanoic acid?
The CAS number of 3-[(2-Phenylethyl)carbamoyl]propanoic acid is 1083-55-2.
What is the molecular formula of 3-[(2-Phenylethyl)carbamoyl]propanoic acid?
The molecular formula of 3-[(2-Phenylethyl)carbamoyl]propanoic acid is C12H15NO3.
What is the molecular weight of 3-[(2-Phenylethyl)carbamoyl]propanoic acid?
The molecular weight of 3-[(2-Phenylethyl)carbamoyl]propanoic acid is 221.11 g/mol.
Where can I buy 3-[(2-Phenylethyl)carbamoyl]propanoic acid?
You can request a quote for 3-[(2-Phenylethyl)carbamoyl]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-[(2-Phenylethyl)carbamoyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Phenylethyl)carbamoyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.