Basic information
- Standard SMILES
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccccc1- InChIKey
SPBNIBWNEXEDIM-HZPDHXFCSA-N- Molecular formula
- C19H28N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.20490738
Names & identifiers
- Preferred name
- (3R*,4S*)-4-Benzylamino-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester
- IUPAC
- 1-O-tert-butyl 3-O-ethyl (3R,4S)-4-(benzylamino)pyrrolidine-1,3-dicarboxylate
Names & synonyms
SCHEMBL10078737SPBNIBWNEXEDIM-HZPDHXFCSA-N(3R*,4S*)-4-Benzylamino-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester
Database identifiers
- PubChem CID
- 68028622
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 455
Related reactions
1 records
Compound notes
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