Basic information
- Standard SMILES
CC(C)C[C@@H](O)C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
GMIDOMGRHSRKOX-GFCCVEGCSA-N- Molecular formula
- C13H17NO5
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.11067264
Names & identifiers
- Preferred name
- D-leucic acid 4-nitrobenzyl ester
- IUPAC
- (4-nitrophenyl)methyl (2R)-2-hydroxy-4-methylpentanoate
Names & synonyms
GMIDOMGRHSRKOX-GFCCVEGCSA-ND-leucic acid 4-nitrobenzyl ester
Database identifiers
- PubChem CID
- 86744637
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
1 records
Compound notes
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