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2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid (HCID 21899485)|Huagongshe
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Compound
2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid
HCID
21899485
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Basic information
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Basic information
Standard SMILES
O=C(O)N1CC2CC1CN2
InChIKey
KVTRUBZAMRIDHX-UHFFFAOYSA-N
Molecular formula
C6H10N2O2
Average molar mass
142.16 g/mol
Monoisotopic mass
142.07422757
Names & identifiers
Preferred name
2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid
IUPAC
2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
Names & synonyms
SCHEMBL335652
Database identifiers
PubChem CID
21899485
Properties
Computed structural properties
XLogP
-2.9
Topological polar surface area
52.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
171
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Related reactions
1 records
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As solvent
HRID
292674
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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