![N-[(4-methylbenzyl)carbamoyl]alanine structure](/static/products/100/1008194-25-9.webp)
N-[(4-methylbenzyl)carbamoyl]alanine
TL;DR: N-[(4-methylbenzyl)carbamoyl]alanine (CAS 1008194-25-9) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
Also Known As: N-[(4-methylbenzyl)carbamoyl]alanine, 2-(3-(4-methylbenzyl)ureido)propanoic acid, 2-[(4-methylphenyl)methylcarbamoylamino]propanoic Acid, 2-({[(4-METHYLBENZYL)AMINO]CARBONYL}AMINO)PROPANOIC ACID
Technical Specifications
| Molecular Formula | C12H16N2O3 |
| Molecular Weight | 236.11609 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | CC1=CC=C(C=C1)CNC(=O)NC(C)C(=O)O |
| InChIKey | JDXHRINSZJOVSA-UHFFFAOYSA-N |
Chemical Property Profile of N-[(4-methylbenzyl)carbamoyl]alanine
Property Insights of N-[(4-methylbenzyl)carbamoyl]alanine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-methylbenzyl)carbamoyl]alanine. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-methylbenzyl)carbamoyl]alanine. Following Lipinski's Rule of Five, N-[(4-methylbenzyl)carbamoyl]alanine 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
What is the CAS number of N-[(4-methylbenzyl)carbamoyl]alanine?
The CAS number of N-[(4-methylbenzyl)carbamoyl]alanine is 1008194-25-9.
What is the molecular formula of N-[(4-methylbenzyl)carbamoyl]alanine?
The molecular formula of N-[(4-methylbenzyl)carbamoyl]alanine is C12H16N2O3.
What is the molecular weight of N-[(4-methylbenzyl)carbamoyl]alanine?
The molecular weight of N-[(4-methylbenzyl)carbamoyl]alanine is 236.11609 g/mol.
Where can I buy N-[(4-methylbenzyl)carbamoyl]alanine?
You can request a quote for N-[(4-methylbenzyl)carbamoyl]alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[(4-methylbenzyl)carbamoyl]alanine?
Yes, CoreyChem provides custom synthesis services for N-[(4-methylbenzyl)carbamoyl]alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.