4-[1-(Boc-amino)cyclopropyl]phenylboronic Acid - CAS 1217500-58-7
Catalog: |
BB005260 |
Product Name: |
4-[1-(Boc-amino)cyclopropyl]phenylboronic Acid |
CAS: |
1217500-58-7 |
Synonyms: |
[4-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclopropyl]phenyl]boronic acid; [4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl]boronic acid |
IUPAC Name: | [4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl]boronic acid |
Description: | 4-[1-(Boc-amino)cyclopropyl]phenylboronic Acid (CAS# 1217500-58-7) is a useful research chemical compound. |
Molecular Weight: | 277.12 |
Molecular Formula: | C14H20NO4B |
Canonical SMILES: | B(C1=CC=C(C=C1)C2(CC2)NC(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C14H20BNO4/c1-13(2,3)20-12(17)16-14(8-9-14)10-4-6-11(7-5-10)15(18)19/h4-7,18-19H,8-9H2,1-3H3,(H,16,17) |
InChI Key: | VRDOSXBUZHSBKB-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD12546458 |
LogP: | 1.27110 |
Publication Number | Title | Priority Date |
US-2019192668-A1 | Irak degraders and uses thereof | 20171226 |
US-10874743-B2 | IRAK degraders and uses thereof | 20171226 |
AU-2017278102-A1 | Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto | 20160606 |
CA-3026024-A1 | Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto | 20160606 |
EP-3464292-A1 | Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto | 20160606 |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.1485383 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.1485383 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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