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(Q72469343)
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English
(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
169.11027872
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₅NO₂
0 references
canonical SMILES
COC(=O)C1NCC2C1C2(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)[C@H]1NC[C@H]2[C@@H]1C2(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H15NO2/c1-9(2)5-4-10-7(6(5)9)8(11)12-3/h5-7,10H,4H2,1-3H3/t5-,6-,7-/m0/s1
0 references
InChIKey
KCIDWDVSBWPHLH-ACZMJKKPSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
672325-23-4
0 references
PubChem CID
11229499
1 reference
matched by identifier from
InChIKey
InChIKey
KCIDWDVSBWPHLH-ACZMJKKPSA-N
SureChEMBL ID
SCHEMBL2055326
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KCIDWDVSBWPHLH-ACZMJKKPSA-N
DSSTox substance ID
DTXSID30459426
1 reference
matched by identifier from
InChIKey
InChIKey
KCIDWDVSBWPHLH-ACZMJKKPSA-N
UNII
QU2L2336K5
1 reference
matched by identifier from
InChIKey
InChIKey
KCIDWDVSBWPHLH-ACZMJKKPSA-N
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