Basic information
- Standard SMILES
O=C(OCc1ccccc1)N1C[C@H](CNC2CC2)[C@H](F)C1- InChIKey
VFDNPTLDOMVZEP-DZGCQCFKSA-N- Molecular formula
- C16H21FN2O2
- Average molar mass
- 292.35 g/mol
- Monoisotopic mass
- 292.15870608
Names & identifiers
- Preferred name
- (3S,4S)-1-benzyloxycarbonyl-3-cyclopropylaminomethyl-4-fluoropyrrolidine
- IUPAC
- benzyl (3S,4S)-3-[(cyclopropylamino)methyl]-4-fluoropyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL500414VFDNPTLDOMVZEP-DZGCQCFKSA-N(3S,4S)-1-benzyloxycarbonyl-3-cyclopropylaminomethyl-4-fluoropyrrolidine
Database identifiers
- PubChem CID
- 53307702
- Nikkaji
- J3.255.898D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
4 records
Compound notes
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