O-(4-Methylnitrosobutyl)-L-serine
Basic information
- CAS
64332-95-2- Standard SMILES
CN(CCCCOC[C@H](N)C(=O)O)N=O- InChIKey
QSQPHSAFCWPRSP-ZETCQYMHSA-N- Molecular formula
- C8H17N3O4
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.12190603
Names & identifiers
- Preferred name
- O-(4-Methylnitrosobutyl)-L-serine
- IUPAC
- (2S)-2-amino-3-[4-[methyl(nitroso)amino]butoxy]propanoic acid
Names & synonyms
O-(4-Methylnitrosobutyl)-L-serineO-(4-(Methylnitrosoamino)butyl)-L-serine64332-95-2L-Serine, O-(4-(methylnitrosoamino)butyl)-L-Serine, O-[4-(methylnitrosoamino)butyl]-89CR65MP9FDTXSID40982876O-{4-[Methyl(nitroso)amino]butyl}serineO-{4-[methyl(nitroso)amino]butyl}-L-serine
Database identifiers
- CAS
64332-95-2- PubChem CID
- 149054
- DTXSID
DTXSID40982876- UNII
- 89CR65MP9F
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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