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(Q72483650)
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English
N-[(1S,3S)-3-Hydroxycyclopentyl]carbamic acid 1,1-dimethylethyl ester
chemical compound
(3-Hydroxycyclopentyl)carbamic acid 1,1-dimethylethyl ester
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
201.136493468
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
[(1S,3R)-3-Hydroxycyclopentyl]carbamic acid tert-butyl ester
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₉NO₃
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canonical SMILES
CC(C)(C)OC(=O)NC1CCC(O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)O
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Identifiers
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1
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InChIKey
SBUKINULYZANSP-YUMQZZPRSA-N
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CAS Registry Number
154737-89-0
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PubChem CID
21637082
1 reference
matched by identifier from
InChIKey
InChIKey
SBUKINULYZANSP-YUMQZZPRSA-N
SureChEMBL ID
SCHEMBL1016665
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SBUKINULYZANSP-YUMQZZPRSA-N
UniChem compound ID
17750813
1 reference
stated in
UniChem
NMRShiftDB structure ID
20172354
1 reference
matched by identifier from
InChIKey
InChIKey
SBUKINULYZANSP-YUMQZZPRSA-N
DSSTox substance ID
DTXSID70616536
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
SBUKINULYZANSP-YUMQZZPRSA-N
DSSTOX compound identifier
DTXCID70567291
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