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1-O-tert-butyl 2-O-methyl 4-(2,3-dihydroxypropoxy)pyrrolidine-1,2-dicarboxylate (HCID 178498565)|Huagongshe
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Compound
1-O-tert-butyl 2-O-methyl 4-(2,3-dihydroxypropoxy)pyrrolidine-1,2-dicarboxylate
HCID
178498565
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
COC(=O)C1CC(OCC(O)CO)CN1C(=O)OC(C)(C)C
InChIKey
BHVOMWFUPDYCKM-UHFFFAOYSA-N
Molecular formula
C14H25NO7
Average molar mass
319.35 g/mol
Monoisotopic mass
319.16310214
Names & identifiers
IUPAC
1-O-tert-butyl 2-O-methyl 4-(2,3-dihydroxypropoxy)pyrrolidine-1,2-dicarboxylate
Database identifiers
PubChem CID
72393419
Properties
Computed structural properties
XLogP
-0.2
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
22
Formal charge
0
Complexity
393
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1 records
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As solvent
HRID
1116923
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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