(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
Basic information
- CAS
76045-62-0- Standard SMILES
O=C1[C@H](O)[C@@H](O)C(=O)N1Cc1ccccc1- InChIKey
IZBMPGFJNIDMRR-RKDXNWHRSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
- IUPAC
- (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
Names & synonyms
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione75172-31-5MFCD03695453(3R,4R)-1-Benzyl-3,4-dihydroxy-2,5-pyrrolidinedione19728-93-9(3R,4R)-(-)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione(3R,4R)-3,4-Dihydroxy-1-(phenylmethyl)-2,5-pyrrolidinedione(+)-(3R,4R)-1-BENZYL-3,4-DIHYDROXYPYRROLIDINE-2,5-DIONE(3R,4R)-(+)-3,4-Dihydroxy-1-(phenylmethyl)-2,5pyrrolidinedioneMLS001174505SCHEMBL1503988CHEMBL1304711
Show more names
Rel-(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dioneIZBMPGFJNIDMRR-RKDXNWHRSA-NHMS2858C06MFCD03109813STK014593AKOS003415330SMR000502092ST039719
Database identifiers
- CAS
76045-62-0- PubChem CID
- 729946
- DTXSID
DTXSID60997381- ChEMBL
CHEMBL1304711- Nikkaji
- J1.170.075F
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
Solubility>33.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
9 records
Compound notes
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