2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoic acid
PubChem CID: 5165230
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| Compound Synonyms | 2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoic acid, 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid, indole-3-acetyl-valine, IAA-Val, IAA-valine, (indole-3-acetyl)valine, (indol-3-ylacetyl)valine, N-(indole-3-acetyl)valine, N-(indol-3-ylacetyl)valine, SCHEMBL8053776, N-(1H-indol-3-ylacetyl)valine, CHEBI:133561, HMS3604O12, N-[(1H-indol-3-yl)acetyl]valine, STK582302, AKOS000179758, AKOS016283828, Z316090228 |
|---|---|
| Topological Polar Surface Area | 82.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 370.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C15H18N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AZEGJHGXTSUPPG-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 5.0 |
| Compound Name | 2-[2-(1H-indol-3-yl)acetamido]-3-methylbutanoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.132 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 274.132 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 274.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.813384 |
| Inchi | InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20) |
| Smiles | CC(C)C(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients