3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
TL;DR: 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid (CAS 134796-54-6) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,5-dimethylpyrrol-1-yl)propanoic acid
Also Known As: 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid, dimethylpyrrolylpropanoicacid, 3-(2,5-dimethylpyrrol-1-yl)propanoic acid, 3-(2,5-Dimethyl-pyrrol-1-yl)-propionic acid, BAS 01191395
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.09464 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.09464 Da |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
| SMILES | CC1=CC=C(N1CCC(=O)O)C |
| InChIKey | LDSCRIAAKASRHB-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
Property Insights of 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid has 1 hydrogen bond donor(s) and 2 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-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
The CAS number of 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is 134796-54-6.
What is the molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
The molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is C9H13NO2.
What is the molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
The molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is 167.09464 g/mol.
Where can I buy 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
You can request a quote for 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.