Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCNC(=O)c1ccc(Br)cn1- InChIKey
TXVKSLYORNDBNJ-UHFFFAOYSA-N- Molecular formula
- C13H17BrN2O3
- Average molar mass
- 329.19 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-(5-bromopicolinamido)propanoate
- IUPAC
- tert-butyl 3-[(5-bromopyridine-2-carbonyl)amino]propanoate
Names & synonyms
tert-butyl 3-(5-bromopicolinamido)propanoate1415129-26-8tert-butyl 3-[(5-bromopyridine-2-carbonyl)amino]propanoateSCHEMBL14055080TXVKSLYORNDBNJ-UHFFFAOYSA-NA1-11563
Database identifiers
- PubChem CID
- 71060050
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Related reactions
3 records
Compound notes
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