N-Boc-6-hydroxy-3-azabicyclo[3.3.0]octane - CAS 130658-13-8
Catalog: |
BB007146 |
Product Name: |
N-Boc-6-hydroxy-3-azabicyclo[3.3.0]octane |
CAS: |
130658-13-8 |
Synonyms: |
4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester; tert-butyl 4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate |
IUPAC Name: | tert-butyl 4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate |
Description: | N-Boc-6-hydroxy-3-azabicyclo[3.3.0]octane (CAS# 130658-13-8 ) is a useful research chemical. |
Molecular Weight: | 227.30 |
Molecular Formula: | C12H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2CCC(C2C1)O |
InChI: | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-5-10(14)9(8)7-13/h8-10,14H,4-7H2,1-3H3 |
InChI Key: | LVSMJGHUOLKTJI-UHFFFAOYSA-N |
Boiling Point: | 327.9 °C at 760 mmHg |
Density: | 1.146 g/cm3 |
MDL: | MFCD11973741 |
LogP: | 1.56210 |
Publication Number | Title | Priority Date |
CA-3081324-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20171031 |
WO-2019089676-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20171031 |
CN-111565718-A | Antagonists of muscarinic acetylcholine receptor M4 | 20171031 |
EP-3703680-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20171031 |
KR-20200081424-A | Antagonist of muscarinic acetylcholine receptor M4 | 20171031 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.15214353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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