Methyl N-(trifluoroacetyl)-L-alanyl-L-alaninate
Basic information
- CAS
2776-49-0- Standard SMILES
COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(F)(F)F- InChIKey
CRYGKOZDJUKLER-WHFBIAKZSA-N- Molecular formula
- C9H13F3N2O4
- Average molar mass
- 270.21 g/mol
- Monoisotopic mass
- 270.08274139
Names & identifiers
- Preferred name
- Methyl N-(trifluoroacetyl)-L-alanyl-L-alaninate
- IUPAC
- methyl (2S)-2-[[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoate
Names & synonyms
DTXSID301191514Methyl N-(trifluoroacetyl)-L-alanyl-L-alaninateL-Alanine, N-[N-(trifluoroacetyl)-L-alanyl]-, methyl ester2776-49-0
Database identifiers
- CAS
2776-49-0- PubChem CID
- 91978486
- DTXSID
DTXSID301191514
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
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Compound notes
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