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(2S,4S)-N-acetyl-4-azido-2-hydroxymethylpyrrolidine

HCID 86601302
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1CO
InChIKey
RMNKKZGNXZSPIW-BQBZGAKWSA-N
Molecular formula
C7H12N4O2
Average molar mass
184.2 g/mol
Monoisotopic mass
184.09602564

Names & identifiers

Preferred name
(2S,4S)-N-acetyl-4-azido-2-hydroxymethylpyrrolidine
IUPAC
1-[(2S,4S)-4-azido-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

Names & synonyms

RMNKKZGNXZSPIW-BQBZGAKWSA-N(2S,4S)-N-acetyl-4-azido-2-hydroxymethylpyrrolidine

Database identifiers

PubChem CID
86601302

Properties

Computed structural propertiesFilling in

XLogP
0.2
Topological polar surface area
54.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
249

Related reactions

1 records
New reaction record
HRID 1723902 reaction equation
HRID 1723902As productuspto-grants-2009_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes