Basic information
- Standard SMILES
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C=O- InChIKey
FRUXNDCWQMESII-VHSXEESVSA-N- Molecular formula
- C13H21NO5
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.14197277
Names & identifiers
- Preferred name
- (3S*,4S*)-4-Formyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester
- IUPAC
- 1-O-tert-butyl 3-O-ethyl (3S,4S)-4-formylpyrrolidine-1,3-dicarboxylate
Names & synonyms
SCHEMBL3372512FRUXNDCWQMESII-VHSXEESVSA-N(3S*,4S*)-4-Formyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester
Database identifiers
- PubChem CID
- 86622385
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
2 records
Compound notes
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