(2S,4S)-2-(1-cyano-cyclopropylcarbamoyl)-4-methanesulfonyloxy-pyrrolidine-1-carboxylic acid t-butyl ester

HCID 59543742
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H](OS(C)(=O)=O)C[C@H]1C(=O)NC1(C#N)CC1
InChIKey
SPNCLCLCEXSWHE-QWRGUYRKSA-N
Molecular formula
C15H23N3O6S
Average molar mass
373.4 g/mol
Monoisotopic mass
373.13075664

Names & identifiers

Preferred name
(2S,4S)-2-(1-cyano-cyclopropylcarbamoyl)-4-methanesulfonyloxy-pyrrolidine-1-carboxylic acid t-butyl ester
IUPAC
tert-butyl (2S,4S)-2-[(1-cyanocyclopropyl)carbamoyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL696961SPNCLCLCEXSWHE-QWRGUYRKSA-N(2S,4S)-2-(1-cyano-cyclopropylcarbamoyl)-4-methanesulfonyloxy-pyrrolidine-1-carboxylic acid t-butyl ester

Database identifiers

PubChem CID
59543742

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
134 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
25

Related reactions

8 records
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Compound notes

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