(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
PubChem CID: 676158
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| Compound Synonyms | (R)-indole-3-lactic acid, (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, 101312-07-6, D-Indole-3-lactic acid, Indole-3-lactic acid, D-, ET6F387NGD, D-3-(3-indolyl)lactic acid, Indole-3-lactic acid, (R)-, (R)-2-Hydroxy-3-(1H-indol-3-yl)propanoic acid, 4Z9, UNII-ET6F387NGD, (R)-(Indol-3-yl)lactate, SCHEMBL891879, CHEBI:55528, C22006, (alphaR)-alpha-Hydroxy-1H-indole-3-propanoic acid, A4D2DECF-89F8-4BCF-A207-A11FA1E72999, Q27124345, 1H-Indole-3-propanoic acid, alpha-hydroxy-, (alphaR)-, (.ALPHA.R)-.ALPHA.-HYDROXY-1H-INDOLE-3-PROPANOIC ACID, 1H-INDOLE-3-PROPANOIC ACID, .ALPHA.-HYDROXY-, (.ALPHA.R)- |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XGILAAMKEQUXLS-SNVBAGLBSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -1.299 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.156 |
| Compound Name | (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid |
| 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 |
| 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-/m1/s1 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Scouleri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Frangula Alnus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvia Clevelandii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients