O-(N-Nitrososarcosyl)-L-serine

HCID 148604

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Basic information

CAS: 53051-16-4
Standard SMILES: CN(CC(=O)OC[C@H](N)C(=O)O)N=O
InChIKey: CQEBBWRGVPZVKV-BYPYZUCNSA-N
Molecular formula: C6H11N3O5
Average molar mass: 205.17 g/mol
Monoisotopic mass: 205.06987046

Names & identifiers

Preferred name: O-(N-Nitrososarcosyl)-L-serine
IUPAC: (2S)-2-amino-3-[2-[methyl(nitroso)amino]acetyl]oxypropanoic acid

Names & synonyms

O-(N-Nitrososarcosyl)-L-serineL-Serine, ester with N-methyl-N-nitrosoglycineRZ0WAP6W2P53051-16-4UNII-RZ0WAP6W2PBRN 3959738Serine, O-(N-nitrososarcosyl)-, L-L-Serine, ester with N-methyl-N-nitrosoglycine (9CI)DTXSID00201090O-{[Methyl(nitroso)amino]acetyl}-L-serineSERINE, ESTER WITH N-NITROSOSARCOSINEQ27288348

Database identifiers

CAS: 53051-16-4
PubChem CID: 148604
DTXSID: DTXSID00201090
UNII: RZ0WAP6W2P
Nikkaji: J153.530G

Properties

Computed structural properties

XLogP: -3.5
Topological polar surface area: 122 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 232

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