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3,3-Dimethyl-2-[[methyl(pent-4-enyl)carbamoyl]amino]butanoic acid (HCID 76538853)|Huagongshe
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Compound
3,3-Dimethyl-2-[[methyl(pent-4-enyl)carbamoyl]amino]butanoic acid
HCID
76538853
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
C=CCCCN(C)C(=O)NC(C(=O)O)C(C)(C)C
InChIKey
NSXSJVLIGJYVSC-UHFFFAOYSA-N
Molecular formula
C13H24N2O3
Average molar mass
256.34 g/mol
Names & identifiers
Preferred name
3,3-Dimethyl-2-[[methyl(pent-4-enyl)carbamoyl]amino]butanoic acid
IUPAC
3,3-dimethyl-2-[[methyl(pent-4-enyl)carbamoyl]amino]butanoic acid
Database identifiers
PubChem CID
76538853
Properties
Computed structural properties
XLogP
2.4
Topological polar surface area
69.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
18
Formal charge
0
Complexity
308
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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
208744
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
672609
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1222278
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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