(S)-Dibenzyl 2-aminosuccinate
Completing data — refresh the page later to see the latest
Basic information
- CAS
2791-79-9- Standard SMILES
N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1- InChIKey
BQAMWLOABQRMAO-INIZCTEOSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Names & identifiers
- Preferred name
- (S)-Dibenzyl 2-aminosuccinate
- IUPAC
- dibenzyl (2S)-2-aminobutanedioate
- English name
- Dibenzyl L-aspartate
- Molecular formula
- C18H19NO4
- Molecular weight
- 313.35
Names & synonyms
(S)-Dibenzyl 2-aminosuccinate2791-79-9Dibenzyl L-aspartatedibenzyl (2S)-2-aminobutanedioateL-ASPARTIC ACID DIBENZYL ESTER1,4-DIBENZYL (2S)-2-AMINOBUTANEDIOATEMFCD09749710aspartic acid dibenzyl ester6327-59-9Dibenzyl-l-aspartic acidDibenzyl (S)-2-Aminosuccinate Hydrochloridedibenzyl aspartate
Show more names
L-Asp(OBzl)-OBzlDibenzyl L-aspartate USP/EP/BPibenzyl(2S)-2-aminobutanedioateL-Aspartic acid, bis(phenylMethyl) ester(S)-dibenzyl 2-aminosuccinate hydrochlorideL-Aspartic acid, 1,4-bis(phenylmethyl) ester
dibenzyl-l-aspartatedibenzyl (S)-aspartateDibenzyl 2-aminosuccinate #(S)-Dibenzyl2-aminosuccinateSCHEMBL1264374DTXSID80384577AKOS024462516CCG-256312
Database identifiers
- CAS
2791-79-9- PubChem CID
- 2808532
- DTXSID
DTXSID80384577- Nikkaji
- J301.794J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 455.3 · 455.3±40.0 °C(Predicted)
- Density
- 1.205 · 1.205
- solubility
- DCM
- form
- Yellow Semisolid
- pka
- 5.77 · 5.77±0.33(Predicted)
Chemistry & industry
Applications
UsesDibenzyl L-Aspartate is an protected intermediate of Aspartic Acid, an amino acid essential as the building blocks of proteins.
Related reactions
21 records
Compound notes
Loading…