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3-Azido-3-methylbutanoic acid

HCID 59614767
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(CC(=O)O)N=[N+]=[N-]
InChIKey
HGBYXYUFWAJPSP-UHFFFAOYSA-N
Molecular formula
C5H9N3O2
Average molar mass
143.14 g/mol

Names & identifiers

Preferred name
3-Azido-3-methylbutanoic acid
IUPAC
3-azido-3-methylbutanoic acid

Names & synonyms

3-azido-3-methylbutanoic acid105090-72-0SCHEMBL14139929HGBYXYUFWAJPSP-UHFFFAOYSA-NFEA09072AKOS026730064EN300-128183

Database identifiers

PubChem CID
59614767

Properties

Computed structural propertiesFilling in

XLogP
1.2
Topological polar surface area
51.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
10
Formal charge
0
Complexity
181

Related reactions

8 records
New reaction record
HRID 300092 reaction equation
HRID 300092As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 939674 reaction equation
HRID 939674As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1233387 reaction equation
HRID 1233387As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1770701 reaction equation
HRID 1770701As productuspto-grants-2016_02
HRID 1770702 reaction equation
HRID 1770702As reactantuspto-grants-2016_02
HRID 2061034 reaction equation
HRID 2061034As productuspto-grants-2012_10
HRID 2061035 reaction equation
HRID 2061035As reactantuspto-grants-2012_10
HRID 2061076 reaction equation
HRID 2061076As reactantuspto-grants-2012_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes