1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
TL;DR: 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS 76945-40-9) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-2,5-dihydropyrrole-2-carboxylic acid
Also Known As: 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid, N-Acetyl-3,4-dehydroproline, 1-acetyl-2,5-dihydropyrrole-2-carboxylic acid, 1H-Pyrrole-2-carboxylicacid, 1-acetyl-2,5-dihydro-, 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylicacid
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 76945-40-9 |
|---|---|
| SMILES | CC(=O)N1CC=CC1C(=O)O |
| InChIKey | VBHKUSGNBBQVID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid (CAS 76945-40-9), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: 1-acetyl-2,5-dihydropyrrole-2-carboxylic acid.
Chemical Property Profile of 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
Property Insights of 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
The XLogP value of -0.3 indicates that 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.6 Ų, 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid has 1 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 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
The CAS number of 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid is 76945-40-9.
What is the molecular formula of 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
The molecular formula of 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid is C7H9NO3.
What is the molecular weight of 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
The molecular weight of 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid is 155.06 g/mol.
Where can I buy 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
You can request a quote for 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.