![3-[(4-Tert-butylphenyl)formamido]propanoic acid structure](/static/products/1118/111830-21-8.webp)
3-[(4-Tert-butylphenyl)formamido]propanoic acid
TL;DR: 3-[(4-Tert-butylphenyl)formamido]propanoic acid (CAS 111830-21-8) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-tert-butylbenzoyl)amino]propanoic acid
Also Known As: 3-[(4-tert-butylphenyl)formamido]propanoic acid, 3-(4-tert-Butyl-benzoylamino)-propionic acid, 3-[(4-tert-butylbenzoyl)amino]propanoic Acid, N-(4-tert-butylbenzoyl)-beta-alanine, 3-(4-(Tert-butyl)benzamido)propanoic acid
Technical Specifications
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.13649 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 Da |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)O |
| InChIKey | HJOIFNWQEBIKGT-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(4-Tert-butylphenyl)formamido]propanoic acid
Property Insights of 3-[(4-Tert-butylphenyl)formamido]propanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Tert-butylphenyl)formamido]propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Tert-butylphenyl)formamido]propanoic acid. Following Lipinski's Rule of Five, 3-[(4-Tert-butylphenyl)formamido]propanoic acid has 2 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 3-[(4-Tert-butylphenyl)formamido]propanoic acid?
The CAS number of 3-[(4-Tert-butylphenyl)formamido]propanoic acid is 111830-21-8.
What is the molecular formula of 3-[(4-Tert-butylphenyl)formamido]propanoic acid?
The molecular formula of 3-[(4-Tert-butylphenyl)formamido]propanoic acid is C14H19NO3.
What is the molecular weight of 3-[(4-Tert-butylphenyl)formamido]propanoic acid?
The molecular weight of 3-[(4-Tert-butylphenyl)formamido]propanoic acid is 249.13649 g/mol.
Where can I buy 3-[(4-Tert-butylphenyl)formamido]propanoic acid?
You can request a quote for 3-[(4-Tert-butylphenyl)formamido]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(4-Tert-butylphenyl)formamido]propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[(4-Tert-butylphenyl)formamido]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.