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(2，4-dioxo-1，3-diazaspiro[4.4]non-3-yl)acetic acid - ≥95%, high purity , CAS No.714-72-7

COA

Grade & Purity:

≥95%

Cas Number: 714-72-7
Molecular Weight: 212.21
PubChem CID: 4996089

In stock

Item Number

A709418

Grouped product items
SKU	Size	Availability	Price	Qty
A709418-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,014.90
A709418-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,950.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Dipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Dipeptides
Alternative Parents	Hydantoins Alpha amino acids and derivatives N-acyl ureas Dicarboximides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Alpha-dipeptide - Hydantoin - Alpha-amino acid or derivatives - N-acyl urea - Ureide - Imidazolidinone - Dicarboximide - Imidazolidine - Carbonic acid derivative - Urea - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetic acid
INCHI	InChI=1S/C9H12N2O4/c12-6(13)5-11-7(14)9(10-8(11)15)3-1-2-4-9/h1-5H2,(H,10,15)(H,12,13)
InChIKey	WPJKWNMXALXUTR-UHFFFAOYSA-N
Smiles	C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)O
Isomeric SMILES	C1CCC2(C1)C(=O)N(C(=O)N2)CC(=O)O
PubChem CID	4996089
Molecular Weight	212.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.200 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	212.08 Da
Monoisotopic Mass	212.08 Da
Topological Polar Surface Area	86.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	333.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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