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Methyl 2-(methylamino)pent-4-enoate (HCID 14732248)|Huagongshe
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Compound
Methyl 2-(methylamino)pent-4-enoate
HCID
14732248
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
C=CCC(NC)C(=O)OC
InChIKey
BXMZAZUGUHOBBT-UHFFFAOYSA-N
Molecular formula
C7H13NO2
Average molar mass
143.18 g/mol
Names & identifiers
Preferred name
Methyl 2-(methylamino)pent-4-enoate
IUPAC
methyl 2-(methylamino)pent-4-enoate
Names & synonyms
methyl 2-(methylamino)pent-4-enoate
1822575-57-4
SCHEMBL2982187
Database identifiers
PubChem CID
14732248
Properties
Computed structural properties
XLogP
0.9
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
10
Formal charge
0
Complexity
123
Show all 8
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Related reactions
3 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
301835
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
835651
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1554023
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Compound notes
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