2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate

C157H198F9N17O34 — CID 157392538

About 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate

2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate (PubChem CID 157392538) has the molecular formula C157H198F9N17O34 and a molecular weight of 3038.38 g/mol. Its IUPAC name is 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate.

Molecular Properties

• Compound Name: 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate
• PubChem CID: 157392538
• Molecular Formula: C157H198F9N17O34
• Molecular Weight: 3038.38 g/mol
• Exact Mass: 3036.41
• IUPAC Name: 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate
• SMILES: CC(N)(Cc1c[nH]c2ccc(F)cc12)C(=O)O.COC(=O)C(C)Cc1c[nH]c2c(F)cccc12.COC(=O)C(Cc1cn(C)c2c(F)cccc12)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COC(=O)C(Cc1cn(C)c2cc(F)ccc12)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COC(=O)C(Cc1cn(C)c2ccc(F)cc12)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COC(=O)C(Cc1cn(C)c2cccc(F)c12)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.Cc1[nH]c2ccc(F)cc2c1CC(C)(N)C(=O)O.Cc1ccc2[nH]c(F)c(CC(C)(N)C(=O)O)c2c1.Cc1ccc2c(c1)c(CC(C)(N)C(=O)O)c(F)n2C
• InChI: InChI=1S/4C23H31FN2O6.C14H17FN2O2.2C13H15FN2O2.C13H14FNO2.C12H13FN2O2/c1-22(2,3)31-20(28)26(21(29)32-23(4,5)6)18(19(27)30-8)11-14-13-25(7)17-10-9-15(24)12-16(14)17;1-22(2,3)31-20(28)26(21(29)32-23(4,5)6)18(19(27)30-8)11-14-13-25(7)17-12-15(24)9-10-16(14)17;1-22(2,3)31-20(28)26(21(29)32-23(4,5)6)17(19(27)30-8)12-14-13-25(7)16-11-9-10-15(24)18(14)16;1-22(2,3)31-20(28)26(21(29)32-23(4,5)6)17(19(27)30-8)12-14-13-25(7)18-15(14)10-9-11-16(18)24;1-8-4-5-11-9(6-8)10(12(15)17(11)3)7-14(2,16)13(18)19;1-7-10(6-13(2,15)12(17)18)9-5-8(14)3-4-11(9)16-7;1-7-3-4-10-8(5-7)9(11(14)16-10)6-13(2,15)12(17)18;1-8(13(16)17-2)6-9-7-15-12-10(9)4-3-5-11(12)14;1-12(14,11(16)17)5-7-6-15-10-3-2-8(13)4-9(7)10/h2*9-10,12-13,18H,11H2,1-8H3;2*9-11,13,17H,12H2,1-8H3;4-6H,7,16H2,1-3H3,(H,18,19);2*3-5,16H,6,15H2,1-2H3,(H,17,18);3-5,7-8,15H,6H2,1-2H3;2-4,6,15H,5,14H2,1H3,(H,16,17)
• InChIKey: BMEFJRSZDWNPLH-UHFFFAOYSA-N
• XLogP: 28.50
• TPSA: 695.95 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3038.38
LogP ≤ 5	28.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate?

The IUPAC name of 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate (CID 157392538) is 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate.

What is the SMILES notation for 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate?

The canonical SMILES for 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate is CC(N)(Cc1c[nH]c2ccc(F)cc12)C(=O)O.COC(=O)C(C)Cc1c[nH]c2c(F)cccc12.COC(=O)C(Cc1cn(C)c2c(F)cccc12)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COC(=O)C(Cc1cn(C)c2cc(F)ccc12)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COC(=O)C(Cc1cn(C)c2ccc(F)cc12)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.COC(=O)C(Cc1cn(C)c2cccc(F)c12)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.Cc1[nH]c2ccc(F)cc2c1CC(C)(N)C(=O)O.Cc1ccc2[nH]c(F)c(CC(C)(N)C(=O)O)c2c1.Cc1ccc2c(c1)c(CC(C)(N)C(=O)O)c(F)n2C.

What is the InChIKey of 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate?

The InChIKey is BMEFJRSZDWNPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H31FN2O6.C14H17FN2O2.2C13H15FN2O2.C13H14FNO2.C12H13FN2O2/c1-22(2,3)31-20(28)26(21(29)32-23(4,5)6)18(19(27)30-8)11-14-13-25(7)17-10-9-15(24)12-16(14)17;1-22(2,3)31-20(28)26(21(29)32-23(4,5)6)18(19(27)30-8)11-14-13-25(7)17-12-15(24)9-10-16(14)17;1-22(2,3)31-20(28)26(21(29)32-23(4,5)6)17(19(27)30-8)12-14-13-25(7)16-11-9-10-15(24)18(14)16;1-22(2,3)31-20(28)26(21(29)32-23(4,5)6)17(19(27)30-8)12-14-13-25(7)18-15(14)10-9-11-16(18)24;1-8-4-5-11-9(6-8)10(12(15)17(11)3)7-14(2,16)13(18)19;1-7-10(6-13(2,15)12(17)18)9-5-8(14)3-4-11(9)16-7;1-7-3-4-10-8(5-7)9(11(14)16-10)6-13(2,15)12(17)18;1-8(13(16)17-2)6-9-7-15-12-10(9)4-3-5-11(12)14;1-12(14,11(16)17)5-7-6-15-10-3-2-8(13)4-9(7)10/h2*9-10,12-13,18H,11H2,1-8H3;2*9-11,13,17H,12H2,1-8H3;4-6H,7,16H2,1-3H3,(H,18,19);2*3-5,16H,6,15H2,1-2H3,(H,17,18);3-5,7-8,15H,6H2,1-2H3;2-4,6,15H,5,14H2,1H3,(H,16,17).

What are the key properties of 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate?

2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate has a molecular weight of 3038.38 g/mol, XLogP of 28.50, 31 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-(2-fluoro-1,5-dimethylindol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(2-fluoro-5-methyl-1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(5-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-fluoro-1-methylindol-3-yl)propanoate;methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(7-fluoro-1-methylindol-3-yl)propanoate;methyl 3-(7-fluoro-1H-indol-3-yl)-2-methylpropanoate is sourced from PubChem (CID 157392538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).