Basic information
- Standard SMILES
COC(=O)[C@H](CCI)NNC(=O)OCc1ccccc1- InChIKey
BMPNVQQONPSKEM-NSHDSACASA-N- Molecular formula
- C13H17IN2O4
- Average molar mass
- 392.19 g/mol
Names & identifiers
- Preferred name
- phenylmethyl 2-{(1S)-3-iodo-1-[(methyloxy)carbonyl]propyl}hydrazinecarboxylate
- IUPAC
- methyl (2S)-4-iodo-2-(2-phenylmethoxycarbonylhydrazinyl)butanoate
Names & synonyms
SCHEMBL12487549BMPNVQQONPSKEM-NSHDSACASA-Nphenylmethyl 2-{(1S)-3-iodo-1-[(methyloxy)carbonyl]propyl}hydrazinecarboxylate
Database identifiers
- PubChem CID
- 68287973
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Related reactions
2 records
Compound notes
Loading…