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Methyl 3-[(5-chlorothiophene-2-carbonyl)amino]-4-hydroxycyclopentane-1-carboxylate (HCID 72437152)|Huagongshe
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Compound
Methyl 3-[(5-chlorothiophene-2-carbonyl)amino]-4-hydroxycyclopentane-1-carboxylate
HCID
72437152
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COC(=O)C1CC(O)C(NC(=O)c2ccc(Cl)s2)C1
InChIKey
PIPHECFLLFLPEE-UHFFFAOYSA-N
Molecular formula
C12H14ClNO4S
Average molar mass
303.76 g/mol
Monoisotopic mass
303.0332068
Names & identifiers
Preferred name
Methyl 3-[(5-chlorothiophene-2-carbonyl)amino]-4-hydroxycyclopentane-1-carboxylate
IUPAC
methyl 3-[(5-chlorothiophene-2-carbonyl)amino]-4-hydroxycyclopentane-1-carboxylate
Database identifiers
PubChem CID
72437152
Properties
Computed structural properties
XLogP
2
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
368
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Related reactions
10 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
158580
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
294532
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
665172
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
816982
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
823829
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
945808
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1115704
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1140242
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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