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3715-10-4

3715-10-4 structural image
Product Name: 5-(diaminomethylideneamino)-2-oxo-pentanoic acid
Formula: C6H11N3O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 173.17 g/mol
XLogP3 -1.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 173.08004122 g/mol
Monoisotopic Mass 173.08004122 g/mol
Topological Polar Surface Area 119 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 208
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

5-guanidino-2-oxopentanoic acid is a 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which one of the methyl hydrogens is substituted by a carbamimidamido group. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a valeric acid. It is a conjugate acid of a 5-guanidino-2-oxopentanoate. It is a tautomer of a 5-guanidino-2-oxopentanoic acid zwitterion.