Basic information
- Standard SMILES
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H](C)c1ccccc1- InChIKey
MHHDWWBEDLSZNN-DJIMGWMZSA-N- Molecular formula
- C20H30N2O4
- Average molar mass
- 362.5 g/mol
Names & identifiers
- Preferred name
- 1-(tert-butyl) 3-ethyl (3R,4S)-4-(((R)-1-phenylethyl)amino)pyrrolidine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-ethyl (3R,4S)-4-[[(1R)-1-phenylethyl]amino]pyrrolidine-1,3-dicarboxylate
Names & synonyms
(3R,4S)-4-((R)-1-phenyl-ethylamino)-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester(3R,4S)-4-[(R)-1-phenyl-ethylamino]-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl esterSCHEMBL2929237MHHDWWBEDLSZNN-DJIMGWMZSA-N1-(tert-butyl) 3-ethyl (3R,4S)-4-(((R)-1-phenylethyl)amino)pyrrolidine-1,3-dicarboxylate
Database identifiers
- PubChem CID
- 10690034
- Nikkaji
- J1.337.495C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 483
Related reactions
2 records
Compound notes
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