Basic information
- Standard SMILES
COC(=O)c1cc(N)cc(N2CCCC2=O)c1- InChIKey
IOVNIYUFCWUKQZ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
Names & identifiers
- Preferred name
- 3-Amino-5-(2-oxo-pyrrolidin-1-yl)-benzoic acid methyl ester
- IUPAC
- methyl 3-amino-5-(2-oxopyrrolidin-1-yl)benzoate
Names & synonyms
3-Amino-5-(2-oxo-pyrrolidin-1-yl)-benzoic acid methyl ester3-amino-5-{2-oxo-pyrrolidin-1-yl)-benzoic acid methyl ester632625-97-9SCHEMBL2533613IOVNIYUFCWUKQZ-UHFFFAOYSA-NDB-3310683-amino-5-(2-oxo pyrrolidin-1-yl)-benzoic acid methyl ester3-amino-5-(2-oxo-pyrrolidin-1yl)-benzoic acid methyl ester3-amino-5-(2-oxopyrrolidin-1-yl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 67442003
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
12 records
Compound notes
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