(2S,4R)-4-Fluoropyrrolidine-2-carboxamide
Basic information
- CAS
851509-26-7- Standard SMILES
NC(=O)[C@@H]1C[C@@H](F)CN1- InChIKey
UMTORPRXIWIVFS-DMTCNVIQSA-N- Molecular formula
- C5H9FN2O
- Average molar mass
- 132.14 g/mol
- Monoisotopic mass
- 132.06989108
Names & identifiers
- Preferred name
- (2S,4R)-4-Fluoropyrrolidine-2-carboxamide
- IUPAC
- (2S,4R)-4-fluoropyrrolidine-2-carboxamide
- English name
- (2S,4R)-4-Fluoropyrrolidine-2-carboxamide
- Molecular formula
- C5H9FN2O
- Molecular weight
- 132.14
Names & synonyms
(2S,4R)-4-Fluoropyrrolidine-2-carboxamide851509-26-7rac-(2R,4S)-4-Fluoropyrrolidine-2-carboxamiderel-(2R,4S)-4-fluoropyrrolidine-2-carboxamide(4R)-4-Fluoro-L-prolinamideSCHEMBL1025891DTXSID70717370AKOS006338337DB-327694EN300-210432EN300-246260Z1203582968
Show more names
2-Pyrrolidinecarboxamide, 4-fluoro-, (2S,4R)-trans-(2S,4R)-4-fluoropyrrolidine-2-carboxamide
Database identifiers
- CAS
851509-26-7- PubChem CID
- 55281179
- DTXSID
DTXSID70717370
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 316.5 · 316.5±42.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15.98 · 15.98±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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