![Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate structure](/static/products/5207/52071-64-4.webp)
Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate
TL;DR: Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate (CAS 52071-64-4) is a chemical compound with molecular formula C20H28N2O5 and molecular weight 376.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Also Known As: Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate, N-tert-butoxycarbonyl-L-prolyl-L-phenylalanine methyl ester, L-Phenylalanine, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl-, methyl ester, tert-Butyl (S)-2-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
| Molecular Formula | C20H28N2O5 |
|---|---|
| Molecular Weight | 376.20 g/mol |
| LogP | 2.2864 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.19983 |
| Heavy Atoms | 27 |
| Complexity | 668.6997 |
Chemical Identifiers
| CAS Number | 52071-64-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate (CAS 52071-64-4), with molecular formula C20H28N2O5 and molecular weight 376.20 g/mol. IUPAC: tert-butyl (2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
Chemical Property Profile of Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate
Property Insights of Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate
The XLogP value of 2.2864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate. Following Lipinski's Rule of Five, Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate 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
Frequently Asked Questions
What is the CAS number of Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate?
The CAS number of Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate is 52071-64-4.
What is the molecular formula of Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate?
The molecular formula of Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate is C20H28N2O5.
What is the molecular weight of Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate?
The molecular weight of Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate is 376.20 g/mol.
Where can I buy Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate?
You can request a quote for Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (S)-2-[(S)-1-Boc-pyrrolidine-2-carboxamido]-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.