2-(Benzyloxycarbonylamino)-3-(bicyclo[2.2.2]octan-1-yl)propyl methanesulfonate

HCID 59201441
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Basic information

Standard SMILES
CS(=O)(=O)OCC(CC12CCC(CC1)CC2)NC(=O)OCc1ccccc1
InChIKey
JFFRJUDANVIURK-UHFFFAOYSA-N
Molecular formula
C20H29NO5S
Average molar mass
395.5 g/mol

Names & identifiers

Preferred name
2-(Benzyloxycarbonylamino)-3-(bicyclo[2.2.2]octan-1-yl)propyl methanesulfonate
IUPAC
[3-(1-bicyclo[2.2.2]octanyl)-2-(phenylmethoxycarbonylamino)propyl] methanesulfonate

Names & synonyms

SCHEMBL3612744JFFRJUDANVIURK-UHFFFAOYSA-N2-(benzyloxycarbonylamino)-3-(bicyclo[2.2.2]octan-1-yl)propyl methanesulfonate

Database identifiers

PubChem CID
59201441

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
90.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
27

Related reactions

3 records
New reaction record

Compound notes

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