Ethyl 1-[(R)-1-Phenylethyl]hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate - CAS 948846-55-7
Catalog: |
BB041577 |
Product Name: |
Ethyl 1-[(R)-1-Phenylethyl]hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate |
CAS: |
948846-55-7 |
Synonyms: |
1-(1-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-5-carboxylic acid ethyl ester; ethyl 1-(1-phenylethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-5-carboxylate |
IUPAC Name: | ethyl 1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-5-carboxylate |
Description: | Ethyl 1-[(R)-1-Phenylethyl]hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate (CAS# 948846-55-7 ) is a useful research chemical. |
Molecular Weight: | 288.38 |
Molecular Formula: | C17H24N2O2 |
Canonical SMILES: | CCOC(=O)N1CC2CCN(C2C1)C(C)C3=CC=CC=C3 |
InChI: | InChI=1S/C17H24N2O2/c1-3-21-17(20)18-11-15-9-10-19(16(15)12-18)13(2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3 |
InChI Key: | LXDJUCZFLBOTOY-UHFFFAOYSA-N |
LogP: | 2.78600 |
Publication Number | Title | Priority Date |
CA-2691782-A1 | Octahydro-pyrrolo[3,4-b]pyrrole n-oxides | 20070911 |
EP-2188288-A1 | Octahydro-pyrrolo[3,4-b]pyrrole n-oxides | 20070911 |
JP-2010539099-A | Octahydro-pyrrolo [3,4-B] pyrrole N-oxide | 20070911 |
JP-5665540-B2 | Octahydro-pyrrolo [3,4-B] pyrrole N-oxide | 20070911 |
RU-2486187-C2 | OCTAHYDRO-PYRROLO[3,4-b]PYRROL N-OXIDES | 20070911 |
Complexity: | 368 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.183778013 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.8 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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