Basic information
- Standard SMILES
COC[C@H]1CCCN1C(=O)c1cc(Br)cc(C(=O)OC)c1- InChIKey
GDJIEUWSIPZEOF-CYBMUJFWSA-N- Molecular formula
- C15H18BrNO4
- Average molar mass
- 356.21 g/mol
- Monoisotopic mass
- 355.04192
Names & identifiers
- Preferred name
- (R)-methyl 3-bromo-5-(2-(methoxymethyl)pyrrolidine-1-carbonyl)benzoate
- IUPAC
- methyl 3-bromo-5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]benzoate
Names & synonyms
SCHEMBL2204093GDJIEUWSIPZEOF-CYBMUJFWSA-N(R)-methyl 3-bromo-5-(2-(methoxymethyl)pyrrolidine-1-carbonyl)benzoate
Database identifiers
- PubChem CID
- 67315972
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
4 records
Compound notes
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