Basic information
- CAS
1217684-74-6- Standard SMILES
O=C(O)[C@@H]1C[C@@H](Cc2cccc(F)c2)CN1- InChIKey
RGFRGRZSMVXTLF-KOLCDFICSA-N- Molecular formula
- C12H14FNO2
- Average molar mass
- 223.24 g/mol
- Monoisotopic mass
- 223.10085685
Names & identifiers
- Preferred name
- (2S,4R)-4-(3-Fluorobenzyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-4-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
Names & synonyms
1262526-44-2(2S,4R)-4-(3-Fluorobenzyl)pyrrolidine-2-carboxylic acid(2S,4R)-4-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylic AcidL-Proline, 4-[(3-fluorophenyl)methyl]-, (4R)-(2S,4R)-4-(3-Fluorophenyl)pyrrolidine-2-carboxylic acid1217684-74-6(2S,4R)-4-[(3-fluorophenyl)methyl]pyrrolidin-1-ium-2-carboxylateCHEMBL4078902MFCD07363501PF-2393296CHEMBL4080583SCHEMBL15030934
Show more names
DTXSID901255102BDBM50234279AKOS024465120AS-66629CS-0060401(4R)-4-[(3-Fluorophenyl)methyl]-L-prolineW18934F829740
Database identifiers
- CAS
1217684-74-6- PubChem CID
- 2761968
- DTXSID
DTXSID901255102- ChEMBL
CHEMBL4078902、CHEMBL4080583
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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