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5458-99-1

5458-99-1 structural image
Product Name: 3-[(2-HYDROXYETHYL)AMINO]PROPANOIC ACID
Formula: C5H11NO3
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COMPUTED DESCRIPTORS

Molecular Weight 133.15 g/mol
XLogP3 -3.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 133.07389321 g/mol
Monoisotopic Mass 133.07389321 g/mol
Topological Polar Surface Area 69.6 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 84.3
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

N-(2-hydroxyethyl)-beta-alanine is a beta-alanine derivative that is propanoic acid in which one of the methyl hydrogens at position 3 is replaced by a (2-hydroxyethyl)nitrilo group. It is a secondary amino compound, a beta-alanine derivative and a primary alcohol. It is functionally related to a beta-alanine.