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(2S,4S)-4-fluoro-1-nitrosopyrrolidine-2-carboxylic acid

HCID 178607259
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Basic information

CAS
79108-50-2
Standard SMILES
O=NN1C[C@@H](F)C[C@H]1C(=O)O
InChIKey
SFZQBHXPXLGKFM-IMJSIDKUSA-N
Molecular formula
C5H7FN2O3
Average molar mass
162.12 g/mol
Monoisotopic mass
162.04407025

Names & identifiers

Preferred name
(2S,4S)-4-fluoro-1-nitrosopyrrolidine-2-carboxylic acid
IUPAC
(2S,4S)-4-fluoro-1-nitrosopyrrolidine-2-carboxylic acid
English name
L-Proline, 4-fluoro-1-nitroso-, cis- (9CI)
Molecular formula
C5H7FN2O3
Molecular weight
162.1190832

Names & synonyms

SCHEMBL24880319L-Proline, 4-fluoro-1-nitroso-, cis- (9CI)

Database identifiers

CAS
79108-50-2
PubChem CID
45082464

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
70 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
187

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