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Ethyl 2-amino-2-ethylbutanoate

HCID 437603
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(N)(CC)CC
InChIKey
YMIUIXFNNAURHO-UHFFFAOYSA-N
Molecular formula
C8H17NO2
Average molar mass
159.23 g/mol
Monoisotopic mass
159.12592879

Names & identifiers

Preferred name
Ethyl 2-amino-2-ethylbutanoate
IUPAC
ethyl 2-amino-2-ethylbutanoate

Names & synonyms

ethyl 2-amino-2-ethylbutanoate189631-96-7MFCD02662980Butanoic acid, 2-amino-2-ethyl-, ethyl estertriethyl amino acetic acidSCHEMBL3176588ethyl 2-amino-2-ethyl-butanoateYMIUIXFNNAURHO-UHFFFAOYSA-NEthyl 2-amino-2-ethylbutanoate, 97%SY2733942-amino-2-ethyl-butanoic acid ethyl esterCS-0112402
Show more names
EN300-221570

Database identifiers

PubChem CID
437603

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
11
Formal charge
0
Complexity
130

Related reactions

16 records
New reaction record
HRID 632439 reaction equation
HRID 632439As reactantuspto-grants-2016_04
HRID 676715 reaction equation
HRID 676715As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 812907 reaction equation
HRID 812907As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 827268 reaction equation
HRID 827268As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 927825 reaction equation
HRID 927825As reactantuspto-grants-2016_03
HRID 937486 reaction equation
HRID 937486As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1121930 reaction equation
HRID 1121930As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1133658 reaction equation
HRID 1133658As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
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Compound notes

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