Basic information
- Standard SMILES
COC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(OC)c(OC)c1- InChIKey
XTXWFTASVNOQGN-UHFFFAOYSA-N- Molecular formula
- C14H19NO7S
- Average molar mass
- 345.37 g/mol
Names & identifiers
- Preferred name
- Methyl 1-[(3,4-dimethoxyphenyl)sulfonyl]-4-hydroxy-2-pyrrolidinecarboxylate
- IUPAC
- methyl 1-(3,4-dimethoxyphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate
Names & synonyms
251310-35-7methyl 1-[(3,4-dimethoxyphenyl)sulfonyl]-4-hydroxy-2-pyrrolidinecarboxylateMFCD00202701methyl 1-(3,4-dimethoxybenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylatemethyl 1-(3,4-dimethoxyphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylateMethyl 1-[(3,4-dimethoxyphenyl)sulfonyl]-4- hydroxy-2-pyrrolidinecarboxylateOprea1_400344AKOS00507461110G-926Methyl 1-((3,4-dimethoxyphenyl)sulfonyl)-4-hydroxypyrrolidine-2-carboxylatemethyl 1-(3,4-dimethoxyphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylatemethyl1-(3,4-dimethoxybenzenesulfonyl)-4-hydroxypyrrolidine-2-carboxylate
Database identifiers
- PubChem CID
- 2765102
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 518
Related reactions
2 records
Compound notes
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