1-脒基-2-吡咯烷酮-5-甲酸
TL;DR: 1-脒基-2-吡咯烷酮-5-甲酸 (CAS 104125-37-3) is a chemical compound with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-脒基-2-吡咯烷酮-5-甲酸
(2S)-1-carbamimidoyl-5-oxopyrrolidine-2-carboxylic acid
Also Known As: pAGlu, 1-Amidino-2-pyrrolidone-5-carboxylic acid, 1-Carbamimidoyl-5-oxoproline, alpha-Guanidinoglutaric acid lactam, 1-Carbamimidoyl-5-oxo-L-proline
| Molecular Formula | C6H9N3O3 |
|---|---|
| Molecular Weight | 171.06 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.06439 |
| Heavy Atoms | 12 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 104125-37-3 |
|---|---|
| SMILES | C1CC(=O)N([C@@H]1C(=O)O)C(=N)N |
| InChIKey | VTFHUPNPAZCWEV-VKHMYHEASA-N |
Product Overview
1-脒基-2-吡咯烷酮-5-甲酸 (CAS 104125-37-3), with molecular formula C6H9N3O3 and molecular weight 171.06 g/mol. IUPAC: (2S)-1-carbamimidoyl-5-oxopyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-脒基-2-吡咯烷酮-5-甲酸
Property Insights of 1-脒基-2-吡咯烷酮-5-甲酸
The XLogP value of -0.7 indicates that 1-脒基-2-吡咯烷酮-5-甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-脒基-2-吡咯烷酮-5-甲酸. Following Lipinski's Rule of Five, 1-脒基-2-吡咯烷酮-5-甲酸 has 3 hydrogen bond donor(s) and 4 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-脒基-2-吡咯烷酮-5-甲酸?
The CAS number of 1-脒基-2-吡咯烷酮-5-甲酸 is 104125-37-3.
What is the molecular formula of 1-脒基-2-吡咯烷酮-5-甲酸?
The molecular formula of 1-脒基-2-吡咯烷酮-5-甲酸 is C6H9N3O3.
What is the molecular weight of 1-脒基-2-吡咯烷酮-5-甲酸?
The molecular weight of 1-脒基-2-吡咯烷酮-5-甲酸 is 171.06 g/mol.
Where can I buy 1-脒基-2-吡咯烷酮-5-甲酸?
You can request a quote for 1-脒基-2-吡咯烷酮-5-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-脒基-2-吡咯烷酮-5-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-脒基-2-吡咯烷酮-5-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.