N-(indole-3-acetyl)phenylalanine
PubChem CID: 4255608
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| Compound Synonyms | indole-3-acetyl-phenylalanine, IAA-Phe, 92519-27-2, 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acid, IAA-phenylalanine, CHEBI:133527, N-(indole-3-acetyl)phenylalanine, N-(indol-3-ylacetyl)phenylalanine, N-[(1H-indol-3-yl)acetyl]phenylalanine, 2-[2-(1H-INDOL-3-YL)ACETAMIDO]-3-PHENYLPROPANOIC ACID, 2-(2-(1H-Indol-3-yl)acetamido)-3-phenylpropanoic acid, N-((1H-indol-3-yl)acetyl)phenylalanine, SCHEMBL1574598, DTXSID101334340, STK578876, AKOS005502876, N-(1H-indol-3-ylacetyl)phenylalanine |
|---|---|
| Topological Polar Surface Area | 82.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Is Pains | False |
| Molecular Formula | C19H18N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BUGQHORRADGONS-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Rotatable Bond Count | 6.0 |
| Compound Name | N-(indole-3-acetyl)phenylalanine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.132 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 322.132 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0991568000000003 |
| Inchi | InChI=1S/C19H18N2O3/c22-18(11-14-12-20-16-9-5-4-8-15(14)16)21-17(19(23)24)10-13-6-2-1-3-7-13/h1-9,12,17,20H,10-11H2,(H,21,22)(H,23,24) |
| Smiles | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC2=CNC3=CC=CC=C32 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients