(1R,2S,3R,4S)-3-ethoxycarbonyl-bicyclo[2.2.1]hept-2-yl-ammonium (S)-alpha-hydroxyphenylacetate

HCID 86636775

Basic information

Standard SMILES
CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1[NH3+].O=C([O-])[C@@H](O)c1ccccc1
InChIKey
BLOPSYBNDVXSHH-IOFYYIOZSA-N
Molecular formula
C18H25NO5
Average molar mass
335.4 g/mol
Monoisotopic mass
335.1732729

Names & identifiers

Preferred name
(1R,2S,3R,4S)-3-ethoxycarbonyl-bicyclo[2.2.1]hept-2-yl-ammonium (S)-alpha-hydroxyphenylacetate
IUPAC
[(1R,2S,3R,4S)-3-ethoxycarbonyl-2-bicyclo[2.2.1]heptanyl]azanium;(2S)-2-hydroxy-2-phenylacetate

Names & synonyms

BLOPSYBNDVXSHH-IOFYYIOZSA-N(1R,2S,3R,4S)-3-ethoxycarbonyl-bicyclo [2.2.1]hept-2-yl-aminium (S)-alpha-hydroxyphenylacetate(1R,2S,3R,4S)-3-ethoxycarbonyl-bicyclo[2.2.1]hept-2-yl-aminium (S)-alpha-hydroxyphenylacetate(1R,2S,3R,4S)-3-ethoxycarbonyl-bicyclo[2.2.1]hept-2-yl-ammonium (S)-alpha-hydroxyphenylacetate

Database identifiers

PubChem CID
86636775

Properties

Computed structural properties

Topological polar surface area
114 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

Related reactions

9 records

Compound notes

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