Basic information
- Standard SMILES
C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O- InChIKey
KNUREFCPXOSNHN-ZETCQYMHSA-N- Molecular formula
- C11H12N2O5
- Average molar mass
- 252.22 g/mol
Names & identifiers
- Preferred name
- [(4-Nitrophenyl)methylcarbonyl]-L-alanine
- IUPAC
- (2S)-2-[[2-(4-nitrophenyl)acetyl]amino]propanoic acid
Names & synonyms
SCHEMBL8842753KNUREFCPXOSNHN-ZETCQYMHSA-NAKOS026859310[(4-Nitrophenyl)methylcarbonyl]-L-alanineN-[[4-Nitrophenyl)methylcarbonyl]-L-alanine
Database identifiers
- PubChem CID
- 28215877
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
4 records
Compound notes
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