Methyl 2-(benzyloxycarbonylamino)-3-(bicyclo[2.2.2]octan-1-yl)propanoate

HCID 59201604
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Basic information

Standard SMILES
COC(=O)C(CC12CCC(CC1)CC2)NC(=O)OCc1ccccc1
InChIKey
DFBTXNIBTYSMRE-UHFFFAOYSA-N
Molecular formula
C20H27NO4
Average molar mass
345.4 g/mol
Monoisotopic mass
345.19400834

Names & identifiers

Preferred name
Methyl 2-(benzyloxycarbonylamino)-3-(bicyclo[2.2.2]octan-1-yl)propanoate
IUPAC
methyl 3-(1-bicyclo[2.2.2]octanyl)-2-(phenylmethoxycarbonylamino)propanoate

Names & synonyms

SCHEMBL3607525DFBTXNIBTYSMRE-UHFFFAOYSA-Nmethyl 2-(benzyloxycarbonylamino)-3-(bicyclo[2.2.2]octan-1-yl)propanoate

Database identifiers

PubChem CID
59201604

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
25

Related reactions

4 records
New reaction record

Compound notes

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