(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid
TL;DR: (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid (CAS 145432-51-5) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylbutanoic acid
Also Known As: (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid, N-BOC-ERYTHRO-L-BETA-METHYLPHENYLALANINE, Boc-(2S,3S)--MePhe-OH, (2S,3S)-Boc-b-methyl-L-Phe-OH, (2r, 3r)/(2s, 3s)-racemic-boc-beta-methyl-phenylalanine
Technical Specifications
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.14706 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.14706 Da |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
| SMILES | C[C@@H](C1=CC=CC=C1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | XFSLNPBJZAPTMM-JQWIXIFHSA-N |
Chemical Property Profile of (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid
Property Insights of (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid. Following Lipinski's Rule of Five, (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid?
The CAS number of (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid is 145432-51-5.
What is the molecular formula of (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid?
The molecular formula of (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid is C15H21NO4.
What is the molecular weight of (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid?
The molecular weight of (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid is 279.14706 g/mol.
Where can I buy (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid?
You can request a quote for (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.