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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC=C1CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N |
|---|---|
| IUPAC Name | 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChIKey | FEZWPBDUNJUSES-UHFFFAOYSA-N |
| INCHI | 1S/C21H30N4O10/c22-15-3-1-14(2-4-15)7-16(25(12-20(32)33)13-21(34)35)8-23(9-17(26)27)5-6-24(10-18(28)29)11-19(30)31/h1-4,16H,5-13,22H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35) |
| Molecular Weight | 498.48 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Pentacarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pentacarboxylic acids and derivatives |
| Alternative Parents | Amphetamines and derivatives Alpha amino acids Aniline and substituted anilines Aralkylamines Trialkylamines Amino acids Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Pentacarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Aniline or substituted anilines - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 498.500 g/mol |
|---|---|
| XLogP3 | -7.200 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 18 |
| Exact Mass | 498.196 Da |
| Monoisotopic Mass | 498.196 Da |
| Topological Polar Surface Area | 222.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 710.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[[3-(4-Aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid , CAS No.102650-29-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)