2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
TL;DR: 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester (CAS 1260605-28-4) is a chemical compound with molecular formula C18H24N2O5 and molecular weight 348.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
Also Known As: (3S)-4-BOC-1-CARBOXYMETHYL-3-BENZYL-PIPERAZIN-2-ONE, 2-(3-benzyl-4-tert-butoxycarbonyl-2-oxo-piperazin-1-yl)acetic acid, (S)-2-(3-benzyl-4-(tert-butoxycarbonyl)-2-oxopiperazin-1-yl)acetic acid, 2-(3-Benzyl-4-(tert-butoxycarbonyl)-2-oxopiperazin-1-yl)acetic acid, (R)-2-BENZYL-4-CARBOXYMETHYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Technical Specifications
| Molecular Formula | C18H24N2O5 |
| Molecular Weight | 348.16852 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.16852 Da |
| Heavy Atoms | 25 |
| Complexity | 508.0 |
| SMILES | CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=CC=C2)CC(=O)O |
| InChIKey | NPWBAMOQBLYFEH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
Property Insights of 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester. Following Lipinski's Rule of Five, 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
The CAS number of 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester is 1260605-28-4.
What is the molecular formula of 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
The molecular formula of 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester is C18H24N2O5.
What is the molecular weight of 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
The molecular weight of 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester is 348.16852 g/mol.
Where can I buy 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
You can request a quote for 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Benzyl-4-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.