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5735-66-0

5735-66-0 structural image
Product Name: 3-OXO-ALANINE
Formula: C3H5NO3
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COMPUTED DESCRIPTORS

Molecular Weight 103.08 g/mol
XLogP3 -3.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 103.026943022 g/mol
Monoisotopic Mass 103.026943022 g/mol
Topological Polar Surface Area 80.4 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 90.2
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

L-3-oxoalanine is the L-enantiomer of 3-oxoalanine. It has a role as an Escherichia coli metabolite. It is a 3-oxoalanine, a L-alanine derivative and a non-proteinogenic L-alpha-amino acid. It is functionally related to a L-serine. It is a conjugate acid of a L-3-oxoalaninate. It is a tautomer of a L-3-oxoalanine zwitterion.