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Methyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate (HCID 13890215)|Huagongshe
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Compound
Methyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate
HCID
13890215
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COC(=O)C1CCCN1C(=O)CN
InChIKey
KHZOZHFRCWCLHJ-UHFFFAOYSA-N
Molecular formula
C8H14N2O3
Average molar mass
186.21 g/mol
Names & identifiers
Preferred name
Methyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate
IUPAC
methyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL852541
Database identifiers
PubChem CID
13890215
Properties
Computed structural properties
XLogP
-1.1
Topological polar surface area
72.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
217
Show all 8
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
91829
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
162225
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
822542
As product
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1122538
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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