Methyl 4-(Cbz-amino)bicyclo[2.2.2]octane-1-carboxylate - CAS 862501-91-5
Catalog: |
BB037868 |
Product Name: |
Methyl 4-(Cbz-amino)bicyclo[2.2.2]octane-1-carboxylate |
CAS: |
862501-91-5 |
Synonyms: |
4-(phenylmethoxycarbonylamino)-1-bicyclo[2.2.2]octanecarboxylic acid methyl ester; methyl 4-(phenylmethoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylate |
IUPAC Name: | methyl 4-(phenylmethoxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylate |
Description: | Methyl 4-(Cbz-amino)bicyclo[2.2.2]octane-1-carboxylate (CAS# 862501-91-5) is a useful research chemical compound. |
Molecular Weight: | 317.38 |
Molecular Formula: | C18H23NO4 |
Canonical SMILES: | COC(=O)C12CCC(CC1)(CC2)NC(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C18H23NO4/c1-22-15(20)17-7-10-18(11-8-17,12-9-17)19-16(21)23-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,19,21) |
InChI Key: | KLNFWPRNJYVETC-UHFFFAOYSA-N |
LogP: | 3.38320 |
Publication Number | Title | Priority Date |
EP-3805223-A1 | 2,3-dihydro-1h-pyrrolizine-7-formamide derivative and application thereof | 20180525 |
AU-2010326108-A1 | Novel tricyclic compounds | 20091201 |
AU-2010326108-B2 | Novel tricyclic compounds | 20091201 |
AU-2010326108-C1 | Novel tricyclic compounds | 20091201 |
AU-2016201825-A1 | Novel tricyclic compounds | 20091201 |
Complexity: | 431 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.16270821 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 64.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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