21709-90-0
Product Name:
N-(1-oxopropyl)-Glycine
Formula:
C5H9NO3
Synonyms:
N-(1-Oxopropyl)glycine;2-(Propionylamino)acetic acid;NSC 158539;Propionyl glycine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Collision Cross Section | 126.93 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
COMPUTED DESCRIPTORS
Molecular Weight | 131.13 g/mol |
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XLogP3 | 0.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 131.058243149 g/mol |
Monoisotopic Mass | 131.058243149 g/mol |
Topological Polar Surface Area | 66.4 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 121 |
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
Propionylglycine is a N-acylglycine obtained by formal condensation of the carboxy group of propionic acid with the amino group of glycine. It has a role as a human urinary metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a propionylglycinate.