tert-butyl 1-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]azetidine-3-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CN(Cc2ccc(C(N)=NO)cc2)C1- InChIKey
RJCHYTPTNVLXTO-UHFFFAOYSA-N- Molecular formula
- C16H23N3O3
- Average molar mass
- 305.37 g/mol
Names & identifiers
- Preferred name
- tert-butyl 1-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]azetidine-3-carboxylate
- IUPAC
- tert-butyl 1-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]azetidine-3-carboxylate
Names & synonyms
SCHEMBL409067
Database identifiers
- PubChem CID
- 76806751
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
9 records
Compound notes
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