Basic information
- Standard SMILES
O=C(O)C1(C(=O)O)CN(Cc2ccccc2)C1- InChIKey
CWDWGQLVRSTJCN-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
Names & identifiers
- Preferred name
- 1-benzylazetidine-3,3-dicarboxylic Acid
- IUPAC
- 1-benzylazetidine-3,3-dicarboxylic acid
Names & synonyms
1-benzylazetidine-3,3-dicarboxylic Acid106014-87-33,3-Azetidinedicarboxylic acid, 1-(phenylmethyl)-1-Benzyl-azetidine-3,3-dicarboxylic acidSCHEMBL371723CWDWGQLVRSTJCN-UHFFFAOYSA-N1-benzylazetidine-3,3-dicarboxylicAcidSB51715N-benzylazetidine-3,3-dicarboxylic acidN-benzyl-azetidine-3,3-dicarboxylic acidDB-059425
Database identifiers
- PubChem CID
- 11310885
- Nikkaji
- J1.944.694H
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
8 records
Compound notes
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