Basic information
- Standard SMILES
CCC[C@H](NCc1ccc(Br)nc1)C(=O)OC- InChIKey
LLRPEZWCSPKQLA-JTQLQIEISA-N- Molecular formula
- C12H17BrN2O2
- Average molar mass
- 301.18 g/mol
Names & identifiers
- Preferred name
- (S)-N-(6-Bromopyridin-3-ylmethyl)-N-(1-methoxycarbonylbut-1-yl)amine
- IUPAC
- methyl (2S)-2-[(6-bromo-3-pyridinyl)methylamino]pentanoate
Names & synonyms
SCHEMBL7302440LLRPEZWCSPKQLA-JTQLQIEISA-N(S)-N-(6-Bromopyridin-3-ylmethyl)-N-(1-methoxycarbonylbut-1-yl)amine
Database identifiers
- PubChem CID
- 54040071
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Related reactions
1 records
Compound notes
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