Basic information
- Standard SMILES
COC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)N1- InChIKey
ZXNQGMDAGFEJLV-NSHDSACASA-N- Molecular formula
- C13H16N2O4
- Average molar mass
- 264.28 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl 3-methyl (S)-pyrazolidine-1,3-dicarboxylate
- IUPAC
- 1-O-benzyl 3-O-methyl (3S)-pyrazolidine-1,3-dicarboxylate
Names & synonyms
1-Benzyl 3-methyl (S)-pyrazolidine-1,3-dicarboxylate635291-66-6SCHEMBL9609003ZXNQGMDAGFEJLV-NSHDSACASA-NCS-05277683-methyl 1-(phenylmethyl) (3S)-1,3-pyrazolidinedicarboxylate
Database identifiers
- PubChem CID
- 59415571
- Nikkaji
- J1.964.741B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
2 records
Compound notes
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