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4-Hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (HCID 22145609)|Huagongshe
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Compound
4-Hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
HCID
22145609
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Basic information
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Compound notes
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Basic information
Standard SMILES
CC(C)(C)OC(=O)NC(CO)CC(=O)[O-]
InChIKey
PRSIONPHFVWSKD-UHFFFAOYSA-M
Molecular formula
C9H16NO5-
Average molar mass
218.23 g/mol
Names & identifiers
Preferred name
4-Hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
IUPAC
4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Database identifiers
PubChem CID
22145609
Properties
Computed structural properties
XLogP
0.5
Topological polar surface area
98.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
15
Formal charge
-1
Complexity
228
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Related reactions
1 records
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As reactant
As product
As reagent
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As solvent
HRID
1575715
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Compound notes
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