2-(2-(1H-Indol-3-yl)acetamido)pentanedioic acid
PubChem CID: 25200809
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(2-(1H-Indol-3-yl)acetamido)pentanedioic acid, 192430-60-7, 2-[[2-(1H-indol-3-yl)acetyl]amino]pentanedioic acid, 2-[2-(1H-INDOL-3-YL)ACETAMIDO]PENTANEDIOIC ACID, L-N-(1H-Indol-3-ylacetyl)glutamic acid, MFCD07637312, (indole-3-acetyl)glutamic acid, SCHEMBL5805740, CHEBI:136547, N-(indole-3-acetyl)glutamic acid, N-(indol-3-ylacetyl)glutamic acid, AKOS016286653, BS-16219, CS-0161671, D83875, 2-(2-(1H-Indol-3-yl)acetamido)pentanedioicacid, 2-(2-(1H-Indol-3-yl)acetamido)pentanedioic acid (Deamino-nTrp-DL-Glu-OH) |
|---|---|
| Topological Polar Surface Area | 119.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of various plant subspecies including soybean (Glycine max). L-N-(1H-Indol-3-ylacetyl)glutamic acid is found in pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[2-(1H-indol-3-yl)acetyl]amino]pentanedioic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Is Pains | False |
| Molecular Formula | C15H16N2O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YRKLGWOHYXIKSF-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Rotatable Bond Count | 7.0 |
| Synonyms | L-N-(1H-Indol-3-ylacetyl)glutamic acid, N-(1H-Indol-3-ylacetyl)glutamic acid, 9CI, L-form, S-N-(1H-Indol-3-ylacetyl)glutamic acid |
| Compound Name | 2-(2-(1H-Indol-3-yl)acetamido)pentanedioic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.106 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 304.106 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 304.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9045996727272723 |
| Inchi | InChI=1S/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22) |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients