Basic information
- Standard SMILES
CC(C)COC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1- InChIKey
OLYYXOCJSSGREB-NSHDSACASA-N- Molecular formula
- C15H20N2O5
- Average molar mass
- 308.33 g/mol
Names & identifiers
- Preferred name
- N-[(3-nitrophenyl)acetyl]-alanine iso-butyl ester
- IUPAC
- 2-methylpropyl (2S)-2-[[2-(3-nitrophenyl)acetyl]amino]propanoate
Names & synonyms
SCHEMBL4563447OLYYXOCJSSGREB-NSHDSACASA-NN-[(3-nitrophenyl)acetyl]-alanine iso-butyl esterN-[(3-nitrophenyl)acetyl]-L-alanine Iso-butyl Ester
Database identifiers
- PubChem CID
- 54157293
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
26 records
Compound notes
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