Basic information
- CAS
64345-85-3- Standard SMILES
CN(CCCCC(=O)OC[C@H](N)C(=O)O)N=O- InChIKey
XXSXGMMNAONLLQ-ZETCQYMHSA-N- Molecular formula
- C9H17N3O5
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.11682065
Names & identifiers
- Preferred name
- O-(5-Methylnitrosoaminopentanoyl)-L-serine
- IUPAC
- (2S)-2-amino-3-[5-[methyl(nitroso)amino]pentanoyloxy]propanoic acid
Names & synonyms
O-(5-Methylnitrosoaminopentanoyl)-L-serineL-Serine, 5-(methylnitrosoamino)pentanoate (ester)64345-85-3JE443JW3NDDTXSID00214564O-{5-[Methyl(nitroso)amino]pentanoyl}-L-serine
Database identifiers
- CAS
64345-85-3- PubChem CID
- 3036554
- DTXSID
DTXSID00214564- UNII
- JE443JW3ND
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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