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1119-48-8

1119-48-8 structural image
Product Name: 4-(Methylamino)butyric acid
Formula: C5H11NO2
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COMPUTED DESCRIPTORS

Molecular Weight 117.15 g/mol
XLogP3 -2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 117.078978594 g/mol
Monoisotopic Mass 117.078978594 g/mol
Topological Polar Surface Area 49.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 72.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4-(methylamino)butyric acid is a gamma-amino acid comprising that is GABA in which one of the hydrogens attached to the nitrogen is replaced by a methyl group. It is functionally related to a butyric acid and a gamma-aminobutyric acid. It is a conjugate acid of a 4-(methylamino)butyrate. It is a tautomer of a 4-(methylamino)butyric acid zwitterion.