benzyl N-[2-ethylhexanoyl]-(L)-pyroglutamate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCC(CC)C(=O)N1C(=O)CC[C@H]1C(=O)OCc1ccccc1- InChIKey
RQIBXAKWDJUHSX-DJNXLDHESA-N- Molecular formula
- C20H27NO4
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- benzyl N-[2-ethylhexanoyl]-(L)-pyroglutamate
- IUPAC
- benzyl (2S)-1-(2-ethylhexanoyl)-5-oxopyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL10757182RQIBXAKWDJUHSX-DJNXLDHESA-Nbenzyl N-[2-ethylhexanoyl]-(L)-pyroglutamate
Database identifiers
- PubChem CID
- 13655558
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
1 records
Compound notes
Loading…