Basic information
- CAS
133748-30-8- Standard SMILES
COC(=O)C1CC(=O)N(c2ccc(O)cc2)C1- InChIKey
LNCZWDCYTJRWGX-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- Methyl 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
- IUPAC
- methyl 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
Names & synonyms
133748-30-8methyl 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylateMethyl 1-(4-hydroxyphenyl)-5-oxo-3-pyrrolidinecarboxylate3-Pyrrolidinecarboxylic acid, 1-(4-hydroxyphenyl)-5-oxo-, methyl esterCBMicro_004058Oprea1_262879Oprea1_730719SCHEMBL1777398DTXSID90387195LNCZWDCYTJRWGX-UHFFFAOYSA-NSMSF00122481-(4-Hydroxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
Show more names
AKOS000639115CB05917BIM-0003990.P001DB-334375(RS)-1-(4-hydroxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid methyl ester(RS)-1-(4-hydroxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid methyl ester1-(4-hydroxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
Database identifiers
- CAS
133748-30-8- PubChem CID
- 2883518
- DTXSID
DTXSID90387195
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
51 records
Compound notes
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