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N-(2-hydroxyethyl)-aminobutyric acid (HCID 18780751)|Huagongshe
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Compound
N-(2-hydroxyethyl)-aminobutyric acid
HCID
18780751
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCC(NCCO)C(=O)O
InChIKey
OHJDKUBXUCEKAO-UHFFFAOYSA-N
Molecular formula
C6H13NO3
Average molar mass
147.17 g/mol
Names & identifiers
Preferred name
N-(2-hydroxyethyl)-aminobutyric acid
IUPAC
2-(2-hydroxyethylamino)butanoic acid
Names & synonyms
SCHEMBL8063770
OHJDKUBXUCEKAO-UHFFFAOYSA-N
N-(2-hydroxyethyl)-aminobutyric acid
AKOS006378100
Database identifiers
PubChem CID
18780751
Properties
Computed structural properties
XLogP
-2.6
Topological polar surface area
69.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
10
Formal charge
0
Complexity
105
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Related reactions
4 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
355431
As product
uspto-grants-1998_11
HRID
944084
As product
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1421333
As product
uspto-grants-2000_06
HRID
1540433
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Compound notes
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