3-(Indol-3-YL) lactate
PubChem CID: 676157
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| Compound Synonyms | 7417-65-4, 3-(INDOL-3-YL) LACTATE, (S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, (2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID, indole-3-l-lactic acid, L-Indole-3-lactic acid, (S)-indole-3-lactic acid, Indole-3-lactic acid, L-, DJ9KH2U67F, Indole-3-lactic acid, (S)-, (2S)-2-Hydroxy-3-indoylpropanoic acid, 1H-Indole-3-propanoicacid,-alpha--hydroxy-,(-alpha-R)-(9CI), 3IL, DL-3-indolelactate, dl-3-Indolelactic acid, Dl-Indole-3-lactic-acid, UNII-DJ9KH2U67F, SCHEMBL1362995, 1H-Indole-3-propanoic acid, alpha-hydroxy-, (alphaS)-, CHEBI:194705, DTXSID801314125, 1H-Indole-3-propanoicacid,-alpha--hydroxy-,(-alpha-S)-(9CI), 2-hydroxy-3-indol-3-yl-propionate, 2-Hydroxy-3-indol-3-yl-propionsaeure, DB07060, (+)-a-hydroxy-1H-indole-3-propanoate, (+)-a-hydroxy-1H-indole-3-propionate, 2-hydroxy-3-indol-3-yl-propionic acid, (S)-2-hydroxy-3-indol-3-yl-propionate, (+)-2-hydroxy-3-indol-3-yl-propionate, PD006145, (+)-alpha-hydroxy-1H-indole-3-propanoate, (+)-alpha-hydroxy-1H-indole-3-propionate, (+)-a-hydroxy-1H-indole-3-propanoic acid, (+)-a-hydroxy-1H-indole-3-propionic acid, (+)-2-hydroxy-3-indol-3-yl-propionic acid, (S)-2-hydroxy-3-indol-3-yl-propionic acid, NS00099294, (+)-alpha-hydroxy-1H-indole-3-propanoic acid, (+)-alpha-hydroxy-1H-indole-3-propionic acid, (S)-2-hydroxy-3-(1H-indol-3-yl)propanoicacid, (alphaS)-alpha-Hydroxy-1H-indole-3-propanoic acid, Q27095975, (.ALPHA.S)-.ALPHA.-HYDROXY-1H-INDOLE-3-PROPANOIC ACID, 1H-INDOLE-3-PROPANOIC ACID, .ALPHA.-HYDROXY-, (.ALPHA.S)- |
|---|---|
| Topological Polar Surface Area | 73.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Xlogp | 1.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Indolyl carboxylic acids and derivatives |
| Molecular Formula | C11H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XGILAAMKEQUXLS-JTQLQIEISA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -1.299 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 0.156 |
| Synonyms | Indolelactate, 3-(indol-3-yl) LACTic acid, (2S)-2-Hydroxy-3-(1H-indol-3-yl)propanoic acid, (2S)-2-Hydroxy-3-(1H-indol-3-yl)propionic acid, (2S)-2-Hydroxy-3-indoylpropanoic acid, (2S)-2-Hydroxy-3-indoylpropionic acid, (S)-2-Hydroxy-3-(1H-indol-3-yl)propanoic acid, (S)-2-Hydroxy-3-(1H-indol-3-yl)propionic acid, (S)-Indole-3-lactic acid, (AlphaS)-alpha-hydroxy-1H-indole-3-propanoic acid, (AlphaS)-alpha-hydroxy-1H-indole-3-propionic acid, (ΑS)-α-hydroxy-1H-indole-3-propanoic acid, (ΑS)-α-hydroxy-1H-indole-3-propionic acid, 2-(1H-indol-3-yl)Acetaldehyde, 2-Hydroxy-3-(1H-indol-3-yl)propanoic acid, 2-Hydroxy-3-(1H-indol-3-yl)propionic acid, 2-Hydroxy-3-(3-indolyl)propanoic acid, 2-Hydroxy-3-(3-indolyl)propionic acid, 3-(3-Indolyl)-2-hydroxypropanoic acid, 3-(3-Indolyl)-2-hydroxypropionic acid, 3-(3-Indolyl)-DL-lactic acid, 3-Indolyllactic acid, Indole-3-L-lactic acid, Indole-3-lactic acid, L-3-(3-Indolyl)lactic acid, L-Indole-3-lactic acid, alpha-Hydroxy-1H-indole-3-propanoic acid, alpha-Hydroxy-1H-indole-3-propionic acid, beta-(3-Indolyl)lactic acid, beta-Indolyllactic acid, Α-hydroxy-1H-indole-3-propanoic acid, Α-hydroxy-1H-indole-3-propionic acid, Β-(3-indolyl)lactic acid, Β-indolyllactic acid, Indolelactic acid |
| Compound Name | 3-(Indol-3-YL) lactate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 205.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 205.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 205.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.2907205999999998 |
| Inchi | InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Indolyl carboxylic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Pycnarrhena Ozantha (Plant) Rel Props:Source_db:cmaup_ingredients