3-(Methylcarbamoyl)benzeneboronic Acid Pinacol Ester - CAS 1197171-76-8
Catalog: |
BB004579 |
Product Name: |
3-(Methylcarbamoyl)benzeneboronic Acid Pinacol Ester |
CAS: |
1197171-76-8 |
Synonyms: |
N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
IUPAC Name: | N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
Description: | 3-(Methylcarbamoyl)benzeneboronic Acid Pinacol Ester (CAS# 1197171-76-8) is a useful research chemical. |
Molecular Weight: | 261.12 |
Molecular Formula: | C14H20NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NC |
InChI: | InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10(9-11)12(17)16-5/h6-9H,1-5H3,(H,16,17) |
InChI Key: | YKVCWFPOJAXHGE-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD17015821 |
LogP: | 1.92020 |
Publication Number | Title | Priority Date |
WO-2021099793-A1 | 1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors | 20191120 |
US-2020206216-A1 | Inhibitors of fibroblast activation protein | 20181221 |
JP-2017178811-A | Compound having γ-turn structure and LSD1 inhibitor using the same | 20160329 |
JP-2019509315-A | A mannose-derived antagonist of FimH useful for the treatment of disease | 20160323 |
US-2019106451-A1 | Mannose-derived antagonists of fimh useful for treating disease | 20160323 |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.1536237 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.1536237 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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