Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate - CAS 51535-00-3
Catalog: |
BB027479 |
Product Name: |
Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate |
CAS: |
51535-00-3 |
Synonyms: |
methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate |
IUPAC Name: | methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate |
Description: | Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate (CAS# 51535-00-3) is a useful research chemical. |
Molecular Weight: | 233.26 |
Molecular Formula: | C13H15NO3 |
Canonical SMILES: | COC(=O)C1CC(=O)N(C1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3 |
InChI Key: | WTRWSSDZHQOPJI-UHFFFAOYSA-N |
Boiling Point: | 396.6 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.213 g/cm3 |
Appearance: | White powder or crystals |
MDL: | MFCD00003196 |
LogP: | 1.14600 |
Publication Number | Title | Priority Date |
CN-111808007-A | Preparation method of chiral 3-substituted pyrrolidine derivative | 20200623 |
WO-2020033707-A1 | Carboxamides as ubiquitin-specific protease inhibitors | 20180809 |
AU-2019319907-A1 | Carboxamides as ubiquitin-specific protease inhibitors | 20180809 |
CN-112867712-A | Carboxamides as ubiquitin-specific protease inhibitors | 20180809 |
EP-3833661-A1 | Carboxamides as ubiquitin-specific protease inhibitors | 20180809 |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyrrolidines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS