Basic information
- CAS
33558-05-3- Standard SMILES
C[C@@H](C(=O)O)N(N=O)C(=O)Nc1ccccc1- InChIKey
ZPFWXSUNTZGXRC-ZETCQYMHSA-N- Molecular formula
- C10H11N3O4
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.07495584
Names & identifiers
- Preferred name
- (2S)-2-(nitroso-(phenylcarbamoyl)amino)propanoic Acid
- IUPAC
- (2S)-2-[nitroso(phenylcarbamoyl)amino]propanoic acid
Names & synonyms
(2S)-2-(nitroso-(phenylcarbamoyl)amino)propanoic Acid33558-05-3(2S)-2-[nitroso(phenylcarbamoyl)amino]propanoic acidDTXSID00187244
Database identifiers
- CAS
33558-05-3- PubChem CID
- 5491908
- DTXSID
DTXSID00187244
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…