3-Acetyl-1-Boc-pyrrolidine - CAS 858643-95-5
Catalog: |
BB037750 |
Product Name: |
3-Acetyl-1-Boc-pyrrolidine |
CAS: |
858643-95-5 |
Synonyms: |
3-acetyl-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-acetylpyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-acetylpyrrolidine-1-carboxylate |
Description: | 3-Acetyl-1-Boc-pyrrolidine (CAS# 858643-95-5) is a boc protected reagent that is used for selective inhibitors of H. influenzae TrmD that mimic tRNA interaction by inducing TrmD lid domain ordering. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(=O)C1CCN(C1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C11H19NO3/c1-8(13)9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3 |
InChI Key: | WTNNGFYIEBJFPX-UHFFFAOYSA-N |
Boiling Point: | 293.83 ℃ at 760 mmHg |
Density: | 1.076 g/cm3 |
LogP: | 1.77030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112812128-A | Macrocyclic compounds as ALK and ROS modulators | 20191118 |
WO-2020198058-A1 | Inhibitors of raf kinases | 20190322 |
CA-3030381-A1 | Pyrimidine carboxamides as inhibitors of vanin-1 enzyme | 20160714 |
JP-2019524716-A | Novel pyrimidinecarboxamides as inhibitors of vanin 1 enzyme | 20160714 |
KR-20190026902-A | Novel pyrimidinecarboxamide as an inhibitor of vanin-1 enzyme | 20160714 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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