Basic information
- CAS
69672-35-1- Standard SMILES
NC(CF)(CCC(=O)O)C(=O)O- InChIKey
MQDPXCNKVNOCEE-UHFFFAOYSA-N- Molecular formula
- C6H10FNO4
- Average molar mass
- 179.15 g/mol
- Monoisotopic mass
- 179.05938596
Overview
irreversible glutamatedecarboxylase inhibitor; RN given refers to the (DL)-isomer
Names & identifiers
- Preferred name
- alpha-(Fluoromethyl)glutamic acid
- IUPAC
- 2-amino-2-(fluoromethyl)pentanedioic acid
- English name
- alpha-(fluoromethyl)glutamic acid
- Molecular formula
- C6H10FNO4
- Molecular weight
- 179.15
Names & synonyms
2-(Fluoromethyl)glutamic acidalpha-(Fluoromethyl)glutamic acid69672-35-1DTXSID20989823RefChem:111050DTXCID701416934a-fluoromethyl-glutamic acidSCHEMBL10778584DL-Glutamic acid, 2-(fluoromethyl)-Glutamic acid, 2-(fluoromethyl)-
Database identifiers
- CAS
69672-35-1- PubChem CID
- 129665
- DTXSID
DTXSID20989823
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 371.4 · 371.4±42.0 °C(Predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- 1.62 · 1.62±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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