Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1CNC(=O)c1ccc(Br)cc1- InChIKey
GURDENYYPNAROY-UHFFFAOYSA-N- Molecular formula
- C17H23BrN2O3
- Average molar mass
- 383.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-[[(4-bromobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-[[(4-bromobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
Names & synonyms
1008505-56-3tert-butyl 2-[[(4-bromobenzoyl)amino]methyl]pyrrolidine-1-carboxylatetert-butyl 2-{[(4-bromobenzoyl)amino]methyl}pyrrolidine-1-carboxylate2-[(4-bromo-benzoylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL204560GURDENYYPNAROY-UHFFFAOYSA-NDB-344159A1-094652-[(4-Bromobenzoylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58185404
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
7 records
Linked notes
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