N-(3-Indolylacetyl)-DL-aspartic acid
PubChem CID: 4656408
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 32449-99-3, Indole-3-acetyl-DL-aspartic acid, N-(3-Indolylacetyl)-DL-aspartic acid, N-(3-Indoleacetyl)-DL-aspartic acid, 2-(2-(1H-Indol-3-yl)acetamido)succinic acid, 2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid, Aspartic acid, N-(3-indolylacetyl)-, L-N-(1H-Indol-3-ylacetyl)aspartic acid, N-[3-indolylacetyl]-dl-aspartic acid, Indole-3-acetylasparaginic acid, N-(1H-Indol-3-ylacetyl)-L-aspartic acid, MFCD00050396, Aspartic acid, N-(indol-3-ylacetyl)- (7CI), L-Aspartic acid, N-indol-3-ylacetyl- (6CI), Aspartic acid, N-(indol-3-ylacetyl)-, L- (8CI), 2-(2-indol-3-ylacetylamino)butanedioic acid, bmse000838, (2S)-2-[2-(1H-indol-3-yl)acetamido]butanedioic acid, Oprea1_750352, SCHEMBL149555, DTXSID60405294, CHEBI:191474, AKOS016286652, BS-51929, 2-(2-(1H-Indol-3-yl)acetamido)succinicacid, N-(3-Indolylacetyl)-DL-aspartic acid, 98%, F74023, 2-[2-(1H-INDOL-3-YL)ACETAMIDO]BUTANEDIOIC ACID, D98CE291-68DC-4E7F-891B-9ED90D3E7D70 |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of many plant subspecies including soybean Glycine max. Metabolite of 1H-Indole-3-acetic acid <ht>BNC14-M</ht> in plant tissues. L-N-(1H-Indol-3-ylacetyl)aspartic acid is found in pulses, garden tomato (variety), and opium poppy. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 426.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[2-(1H-indol-3-yl)acetyl]amino]butanedioic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | 0.3 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C14H14N2O5 |
| Inchi Key | VAFNMNRKDDAKRM-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | (Indole-3-acetyl)aspartic acid, (Indoleacetyl)aspartic acid, 3-Indolylacetyl-L-aspartic acid, Aspartic acid, N-(indol-3-ylacetyl)- (7CI), Aspartic acid, N-(indol-3-ylacetyl)-, L- (8CI), Indole-3-acetyl-L-aspartic acid, Indole-3-acetylasparaginic acid, Indoleacetylaspartate, Indolyl-3-aspartic acid, L-aspartic acid, N-(1H-indol-3-ylacetyl)-, L-Aspartic acid, N-indol-3-ylacetyl- (6CI), N-(1H-indol-3-Ylacetyl)-L-aspartic acid, N-(1H-Indol-3-ylacetyl)aspartic acid, 9CI, L-form, L-N-(1H-indol-3-Ylacetyl)aspartate, Aspartic acid, N-(indol-3-ylacetyl)- (7ci), Aspartic acid, N-(indol-3-ylacetyl)-, L- (8ci), L-Aspartic acid, N-indol-3-ylacetyl- (6ci), 2-{[1-hydroxy-2-(1H-indol-3-yl)ethylidene]amino}butanedioate |
| Compound Name | N-(3-Indolylacetyl)-DL-aspartic acid |
| Kingdom | Organic compounds |
| Exact Mass | 290.09 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 290.09 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 290.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21) |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CC(=O)O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Aspartic acid and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:fooddb_chem_all