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CID 5460906 (HCID 5460906)|Huagongshe
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Compound
CID 5460906
HCID
5460906
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCC(C)C(N)C(=O)[O-]
InChIKey
AGPKZVBTJJNPAG-UHFFFAOYSA-M
Molecular formula
C6H12NO2-
Average molar mass
130.16 g/mol
Names & identifiers
Preferred name
CID 5460906
IUPAC
2-amino-3-methylpentanoate
Database identifiers
PubChem CID
5460906
Properties
Computed structural properties
XLogP
-1.1
Topological polar surface area
66.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
9
Formal charge
-1
Complexity
97.7
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
1144289
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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