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10569-72-9

10569-72-9 structural image
Product Name: DL-3-Aminoisobutyric acid
Formula: C4H9NO2
Synonyms: α-Methyl-β-alanine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White powder; [Acros Organics MSDS]
Collision Cross Section 124.2 Ų [M+H]+
Chemical Classes Nitrogen Compounds -> Amino Carboxylic Acids

COMPUTED DESCRIPTORS

Molecular Weight 103.12 g/mol
XLogP3 -2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 103.063328530 g/mol
Monoisotopic Mass 103.063328530 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 72.1
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-aminoisobutyric acid is a beta-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group. It has a role as a metabolite. It is functionally related to an isobutyric acid. It is a conjugate acid of a 3-aminoisobutyrate. It is a tautomer of a 3-aminoisobutanoic acid zwitterion.