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2-(2,2-Dimethylpropanoylamino)-3-hydroxypropanoic acid (HCID 16776552)|Huagongshe
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Compound
2-(2,2-Dimethylpropanoylamino)-3-hydroxypropanoic acid
HCID
16776552
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)(C)C(=O)NC(CO)C(=O)O
InChIKey
FSVJUWAKIIPLCJ-UHFFFAOYSA-N
Molecular formula
C8H15NO4
Average molar mass
189.21 g/mol
Names & identifiers
Preferred name
2-(2,2-Dimethylpropanoylamino)-3-hydroxypropanoic acid
IUPAC
2-(2,2-dimethylpropanoylamino)-3-hydroxypropanoic acid
Names & synonyms
SCHEMBL20912462
AKOS000132391
Database identifiers
PubChem CID
16776552
Properties
Computed structural properties
XLogP
-0.1
Topological polar surface area
86.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
207
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
149957
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
700579
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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