tert-butyl 4-((1R)-1-aminopropyl)-2-nitrobenzoate
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Basic information
- Standard SMILES
CC[C@@H](N)c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1- InChIKey
GOURKQQCLIOKIT-LLVKDONJSA-N- Molecular formula
- C14H20N2O4
- Average molar mass
- 280.32 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-((1R)-1-aminopropyl)-2-nitrobenzoate
- IUPAC
- tert-butyl 4-[(1R)-1-aminopropyl]-2-nitrobenzoate
Names & synonyms
tert-butyl 4-((1R)-1-aminopropyl)-2-nitrobenzoatetert-butyl 4-[(1R)-1-aminopropyl]-2-nitrobenzoateSCHEMBL1185442GOURKQQCLIOKIT-LLVKDONJSA-N
Database identifiers
- PubChem CID
- 66934844
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Related reactions
6 records
Compound notes
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