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N-Phthaloylglycine - >95.0%, high purity , CAS No.4702-13-0
Basic Description
Synonyms
Q27264991 | EINECS 225-177-3 | 2phthalimidoacetic acid | 2-phthalimidoacetic acid | N-Phthaloylglycine Phthalimidoacetic acid | N-(Carboxymethyl)phthalimide | N-(Carboxymethyl)-phthalimide | N-Phthalimidoacetic Acid | 2-Isoindolineacetic acid,3-dioxo- | N
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolyl carboxylic acids and derivatives
Alternative Parents
Phthalimides Alpha amino acids and derivatives Isoindoles Indoles N-substituted carboxylic acid imides Benzenoids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolyl carboxylic acid derivative - Phthalimide - Alpha-amino acid or derivatives - Isoindolone - Indole - Isoindoline - Isoindole - Isoindole or derivatives - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
External Descriptors
Not available
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488182646
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488182646
IUPAC Name
2-(1,3-dioxoisoindol-2-yl)acetic acid
INCHI
InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
InChIKey
WQINSVOOIJDOLJ-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O
WGK Germany
3
RTECS
NR3439000
PubChem CID
20825
Molecular Weight
205.17
Beilstein
184174
Reaxy-Rn
184174
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
194.0-198.0℃
Molecular Weight
205.170 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
205.038 Da
Monoisotopic Mass
205.038 Da
Topological Polar Surface Area
74.700 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
301.000
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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