Basic information
- Standard SMILES
COC(=O)C1CCC(c2ccc(Br)cc2)N1C(=O)OC(C)(C)C- InChIKey
MNGFPHZUPMGLFA-UHFFFAOYSA-N- Molecular formula
- C17H22BrNO4
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.07322
Names & identifiers
- IUPAC
- 1-O-tert-butyl 2-O-methyl 5-(4-bromophenyl)pyrrolidine-1,2-dicarboxylate
Database identifiers
- PubChem CID
- 72335498
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
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