2H-Furo[2,3-c]pyrrole-2-acetic acid, 5-[(1,1-dimethylethoxy)carbonyl]hexahydro-, ethyl ester, (2R,3aS,6aS)-rel-
Basic information
- CAS
1273563-22-6- Standard SMILES
CCOC(=O)C[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1- InChIKey
NUMDLXKFZHUBJG-WOPDTQHZSA-N- Molecular formula
- C15H25NO5
- Average molar mass
- 299.36 g/mol
- Monoisotopic mass
- 299.1732729
Names & identifiers
- Preferred name
- 2H-Furo[2,3-c]pyrrole-2-acetic acid, 5-[(1,1-dimethylethoxy)carbonyl]hexahydro-, ethyl ester, (2R,3aS,6aS)-rel-
- IUPAC
- tert-butyl (2S,3aR,6aR)-2-(2-ethoxy-2-oxoethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
Names & synonyms
DTXSID8011081921273563-22-62H-Furo[2,3-c]pyrrole-2-acetic acid, 5-[(1,1-dimethylethoxy)carbonyl]hexahydro-, ethyl ester, (2R,3aS,6aS)-rel-
Database identifiers
- CAS
1273563-22-6- PubChem CID
- 165367384
- DTXSID
DTXSID801108192
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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