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Dimethyl 2-(propan-2-ylamino)pentanedioate (HCID 73178289)|Huagongshe
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Compound
Dimethyl 2-(propan-2-ylamino)pentanedioate
HCID
73178289
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Basic information
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Properties
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Basic information
Standard SMILES
COC(=O)CCC(NC(C)C)C(=O)OC
InChIKey
WSMNVWUEDMMKFM-UHFFFAOYSA-N
Molecular formula
C10H19NO4
Average molar mass
217.26 g/mol
Monoisotopic mass
217.13140809
Names & identifiers
Preferred name
Dimethyl 2-(propan-2-ylamino)pentanedioate
IUPAC
dimethyl 2-(propan-2-ylamino)pentanedioate
Names & synonyms
SCHEMBL2580362
Database identifiers
PubChem CID
73178289
Nikkaji
J1.774.064D
Properties
Computed structural properties
XLogP
0.7
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
15
Formal charge
0
Complexity
215
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Related reactions
1 records
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As solvent
HRID
106984
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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