Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1Br- InChIKey
CQKCOCCMCKOQGU-KWQFWETISA-N- Molecular formula
- C13H14BrNO4
- Average molar mass
- 328.16 g/mol
Names & identifiers
- Preferred name
- (cis)-1-o-bromobenzoyl-4-hydroxy-L-proline methyl ester
- IUPAC
- methyl (2S,4S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL10469253CQKCOCCMCKOQGU-KWQFWETISA-N(cis)-1-o-bromobenzoyl-4-hydroxy-L-proline methyl ester(cis)-1-o-Bromobenzoyl-4-hydroxy-L-proline, methyl ester
Database identifiers
- PubChem CID
- 14750331
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Related reactions
2 records
Compound notes
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