4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
TL;DR: 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester (CAS 1240589-16-5) is a chemical compound with molecular formula C15H26N2O5 and molecular weight 314.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetic acid
Also Known As: (3S)-4-BOC-1-CARBOXYMETHYL-3-ISOBUTYL-PIPERAZIN-2-ONE, 4-CARBOXYMETHYL-2-ISOBUTYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, (S)-2-(4-(tert-Butoxycarbonyl)-3-isobutyl-2-oxopiperazin-1-yl)acetic acid, 2-(4-(tert-Butoxycarbonyl)-3-isobutyl-2-oxopiperazin-1-yl)acetic acid, 2-(4-tert-butoxycarbonyl-3-isobutyl-2-oxo-piperazin-1-yl)acetic acid
Technical Specifications
| Molecular Formula | C15H26N2O5 |
| Molecular Weight | 314.18417 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.18417 Da |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
| SMILES | CC(C)CC1C(=O)N(CCN1C(=O)OC(C)(C)C)CC(=O)O |
| InChIKey | CDNNBFMNMGDYJG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
Property Insights of 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carboxymethyl-2-isobutyl-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 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester. Following Lipinski's Rule of Five, 4-Carboxymethyl-2-isobutyl-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 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
The CAS number of 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester is 1240589-16-5.
What is the molecular formula of 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
The molecular formula of 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester is C15H26N2O5.
What is the molecular weight of 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
The molecular weight of 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester is 314.18417 g/mol.
Where can I buy 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
You can request a quote for 4-Carboxymethyl-2-isobutyl-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 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester?
Yes, CoreyChem provides custom synthesis services for 4-Carboxymethyl-2-isobutyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.