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Basic information
- Standard SMILES
COC(=O)[C@@H](CCCC(=O)c1cc(F)c(F)c(F)c1)NC(=O)OC(C)(C)C- InChIKey
CJJUKSLYZUBPFK-CYBMUJFWSA-N- Molecular formula
- C18H22F3NO5
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.14500729
Names & identifiers
- Preferred name
- methyl(R)-2-tert-butoxycarbonylamino-6-oxo-6-(3,4,5-trifluorophenyl)hexanoate
- IUPAC
- methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(3,4,5-trifluorophenyl)hexanoate
Names & synonyms
SCHEMBL4330480CJJUKSLYZUBPFK-CYBMUJFWSA-Nmethyl(R)-2-tert-butoxycarbonylamino-6-oxo-6-(3,4,5-trifluorophenyl)hexanoate
Database identifiers
- PubChem CID
- 69005362
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
2 records
Compound notes
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