N-(N-(Trifluoroacetyl)glycylglycine

HCID 136245

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Basic information

CAS: 400-58-8
Standard SMILES: O=C(O)CNC(=O)CNC(=O)C(F)(F)F
InChIKey: UWXMXPPHLZYYPM-UHFFFAOYSA-N
Molecular formula: C6H7F3N2O4
Average molar mass: 228.13 g/mol
Monoisotopic mass: 228.0357912

Names & identifiers

Preferred name: N-(N-(Trifluoroacetyl)glycylglycine
IUPAC: 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetic acid

Names & synonyms

N-(N-(Trifluoroacetyl)glycylglycine400-58-82-[2-(trifluoroacetamido)acetamido]acetic acidN-[N-(Trifluoroacetyl)glycylglycineN-trifluoroacetylglycylglycineTFA-Gly-Gly-OHN-trifluoracetyl-glycylgylcineN-(Trifluoroacetyl)glycylglycineSCHEMBL11799968DTXSID00193062EN300-6255132

Database identifiers

CAS: 400-58-8
PubChem CID: 136245
DTXSID: DTXSID00193062

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 95.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 276

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Related reactions

1 records

New reaction record

HRID 1287555As productuspto-grants-1976_10

Compound notes

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