Basic information
- Standard SMILES
CN(C(Cc1ccccc1)C(=O)O)[N+](=O)[O-]- InChIKey
NHPFJSWVINJHNA-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- 2-[Methyl(nitro)amino]-3-phenylpropanoic acid
- IUPAC
- 2-[methyl(nitro)amino]-3-phenylpropanoic acid
Names & synonyms
SCHEMBL6013488
Database identifiers
- PubChem CID
- 22145402
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Related reactions
1 records
Compound notes
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