Basic information
- CAS
59749-29-0- Standard SMILES
CC(C)NCc1ccccc1.O=C(O)[C@@H]1CCC(=O)N1Cc1ccc(F)cc1- InChIKey
QBBPEMWWYYKNGJ-PPHPATTJSA-N- Molecular formula
- C22H27FN2O3
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.20057089
Names & identifiers
- Preferred name
- L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, compd. with N-(1-methylethyl)benzenemethanamine (1:1)
- IUPAC
- N-benzylpropan-2-amine;(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Names & synonyms
N-(p-Fluorobenzyl)pyroglutamate de N'-isopropylbenzylamine [French]59749-29-0DTXSID90208472N-(p-Fluorobenzyl)pyroglutamate de N'-isopropylbenzylamineRefChem:350907DTXCID101309631-[(4-Fluorophenyl)methyl]-5-oxo-L-proline--N-benzylpropan-2-amine (1/1)
Database identifiers
- CAS
59749-29-0- PubChem CID
- 3042467
- DTXSID
DTXSID90208472
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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