Basic information
- Standard SMILES
COC(=O)C(CSc1ccc(F)cc1)NC(=O)OC(C)(C)C- InChIKey
AUUHPHLVAZZCMG-UHFFFAOYSA-N- Molecular formula
- C15H20FNO4S
- Average molar mass
- 329.4 g/mol
Names & identifiers
- Preferred name
- 2-tert-Butoxycarbonylamino-3-(4-fluoro-phenylsulfanyl)-propionic Acid Methyl Ester
- IUPAC
- methyl 3-(4-fluorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Names & synonyms
SCHEMBL6652851AUUHPHLVAZZCMG-UHFFFAOYSA-N2-tert-Butoxycarbonylamino-3-(4-fluoro-phenylsulfanyl)-propionic Acid Methyl Ester
Database identifiers
- PubChem CID
- 69853553
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Related reactions
4 records
Compound notes
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