About (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
(3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole (PubChem CID 158574816) has the molecular formula C103H118F2N18O9
and a molecular weight of 1790.19 g/mol. Its IUPAC name is (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole.
Frequently Asked Questions
What is the IUPAC name of (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
The IUPAC name of (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole (CID 158574816) is (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole.
What is the SMILES notation for (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
The canonical SMILES for (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole is CC(=O)[C@@H](N)Cc1c[nH]c2cccc(F)c12.CC1=CC(C)=N/C1=C/c1[nH]c(C)cc1C.Cc1c[nH]c(C)c1.Cc1ccc(C)[nH]1.Cc1cccc2c(C[C@@H](N)C(=O)O)c[nH]c12.N[C@@H](Cc1c[nH]c2c(F)cccc12)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.N[C@H](Cc1c[nH]c2ccccc12)C(=O)O.c1c[nH]c(Cc2ccc[nH]2)c1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
The InChIKey is HSNKIRQREIHRNN-CJHOHXFKSA-N. The full InChI is InChI=1S/C13H16N2.C12H13FN2O.C12H14N2O2.C11H11FN2O2.2C11H12N2O2.C9H10N2.C8H7N.2C6H9N.C4H5N/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13;1-7(16)10(14)5-8-6-15-11-4-2-3-9(13)12(8)11;1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16;12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16;2*12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-3-8(10-5-1)7-9-4-2-6-11-9;1-2-4-8-7(3-1)5-6-9-8;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-2-4-5-3-1/h5-7,14H,1-4H3;2-4,6,10,15H,5,14H2,1H3;2-4,6,10,14H,5,13H2,1H3,(H,15,16);1-3,5,9,14H,4,13H2,(H,15,16);2*1-4,6,9,13H,5,12H2,(H,14,15);1-6,10-11H,7H2;1-6,9H;2*3-4,7H,1-2H3;1-5H/b13-7+;;;;;;;;;;/t;2*10-;3*9-;;;;;/m.01010...../s1.
What are the key properties of (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole?
(3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole has a molecular weight of 1790.19 g/mol, XLogP of 18.48, 18 rotatable bonds, 21 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-(4-fluoro-1H-indol-3-yl)butan-2-one;(2S)-2-amino-3-(7-fluoro-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;1H-indole;1H-pyrrole;2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole is sourced from PubChem (CID 158574816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).