Basic information
- Standard SMILES
COC(=O)CC[C@H](NC(=O)c1cc(I)ccc1F)C(=O)OC- InChIKey
OTQZUHGTBVYMLH-NSHDSACASA-N- Molecular formula
- C14H15FINO5
- Average molar mass
- 423.17 g/mol
Names & identifiers
- Preferred name
- dimethyl N-(2-fluoro-5-iodobenzoyl)L-glutamate
- IUPAC
- dimethyl (2S)-2-[(2-fluoro-5-iodobenzoyl)amino]pentanedioate
Names & synonyms
SCHEMBL9523757OTQZUHGTBVYMLH-NSHDSACASA-Ndimethyl N-(2-fluoro-5-iodobenzoyl)L-glutamate
Database identifiers
- PubChem CID
- 14720609
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Related reactions
1 records
Compound notes
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