1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid
TL;DR: 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid (CAS 6270-13-9) is a chemical compound with molecular formula C15H21N3O2 and molecular weight 275.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-N-tert-butyl-5-oxopyrrolidine-3-carboxamide
Also Known As: N-tert-Butyl-5-oxo-1-anilino-3-pyrrolidinecarboxamide, 5-22-06-00048 (Beilstein Handbook Reference), 1-anilino-N-tert-butyl-5-oxopyrrolidine-3-carboxamide, 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid, 3-Pyrrolidinecarboxamide, N-(1,1-dimethylethyl)-5-oxo-1-(phenylamino)-
| Molecular Formula | C15H21N3O2 |
|---|---|
| Molecular Weight | 275.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.1634 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 6270-13-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1CC(=O)N(C1)NC2=CC=CC=C2 |
| InChIKey | NCJGRVWNQKBUGW-UHFFFAOYSA-N |
Product Overview
1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid (CAS 6270-13-9), with molecular formula C15H21N3O2 and molecular weight 275.16 g/mol. IUPAC: 1-anilino-N-tert-butyl-5-oxopyrrolidine-3-carboxamide.
Chemical Property Profile of 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid
Property Insights of 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid. Following Lipinski's Rule of Five, 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic 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
Frequently Asked Questions
What is the CAS number of 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid?
The CAS number of 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid is 6270-13-9.
What is the molecular formula of 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid?
The molecular formula of 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid is C15H21N3O2.
What is the molecular weight of 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid?
The molecular weight of 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid is 275.16 g/mol.
Where can I buy 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid?
You can request a quote for 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Anilino-N-tert-butyl-5-oxopyrrolidine-3-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.