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1-Tert-butylpyrrolidine-2-carboxylic acid (HCID 20550682)|Huagongshe
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Compound
1-Tert-butylpyrrolidine-2-carboxylic acid
HCID
20550682
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Basic information
Standard SMILES
CC(C)(C)N1CCCC1C(=O)O
InChIKey
SFMPOAWDFHFSEN-UHFFFAOYSA-N
Molecular formula
C9H17NO2
Average molar mass
171.24 g/mol
Monoisotopic mass
171.12592879
Names & identifiers
Preferred name
1-Tert-butylpyrrolidine-2-carboxylic acid
IUPAC
1-tert-butylpyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL3462968
Database identifiers
PubChem CID
20550682
Properties
Computed structural properties
XLogP
-0.9
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
183
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
144994
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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