N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid

C103H154Cl2I11N24O17- — CID 159944278

About N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid

N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid (PubChem CID 159944278) has the molecular formula C103H154Cl2I11N24O17- and a molecular weight of 3467.37 g/mol. Its IUPAC name is N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid.

Molecular Properties

• Compound Name: N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid
• PubChem CID: 159944278
• Molecular Formula: C103H154Cl2I11N24O17-
• Molecular Weight: 3467.37 g/mol
• Exact Mass: 3465.08
• IUPAC Name: N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid
• SMILES: CCC(=O)N1[C@@H]2CCC[C@H]1CC(N(C)c1nc(Cl)cc(O[C@@H]3CCOC3)n1)C2.CCC(=O)N1[C@@H]2CCC[C@H]1CC(N(C)c1nc(Nc3cc(C)[nH]n3)cc(O[C@@H]3CCOC3)n1)C2.CCC(=O)N1[C@@H]2CCC[C@H]1CC(N(C)c1nc(Nc3cc(C)n(C(=O)OC(C)(C)C)n3)cc(O[C@@H]3CCOC3)n1)C2.CCC(=O)O.CN(c1nc(Cl)cc(O[C@@H]2CCOC2)n1)C1C[C@H]2CCC[C@@H](C1)C2.Cc1cc(N)nn1C(=O)OC(C)(C)C.I[I-]I(I)I(I)I(I)I(I)I
• InChI: InChI=1S/C29H43N7O5.C24H35N7O3.C20H29ClN4O3.C18H26ClN3O2.C9H15N3O2.C3H6O2.I11/c1-7-26(37)35-19-9-8-10-20(35)15-21(14-19)34(6)27-31-23(16-25(32-27)40-22-11-12-39-17-22)30-24-13-18(2)36(33-24)28(38)41-29(3,4)5;1-4-23(32)31-16-6-5-7-17(31)12-18(11-16)30(3)24-26-20(25-21-10-15(2)28-29-21)13-22(27-24)34-19-8-9-33-14-19;1-3-19(26)25-13-5-4-6-14(25)10-15(9-13)24(2)20-22-17(21)11-18(23-20)28-16-7-8-27-12-16;1-22(14-8-12-3-2-4-13(7-12)9-14)18-20-16(19)10-17(21-18)24-15-5-6-23-11-15;1-6-5-7(10)11-12(6)8(13)14-9(2,3)4;1-2-3(4)5;1-7-9(4)11(6)10(5)8(2)3/h13,16,19-22H,7-12,14-15,17H2,1-6H3,(H,30,31,32,33);10,13,16-19H,4-9,11-12,14H2,1-3H3,(H2,25,26,27,28,29);11,13-16H,3-10,12H2,1-2H3;10,12-15H,2-9,11H2,1H3;5H,1-4H3,(H2,10,11);2H2,1H3,(H,4,5);/q;;;;;;-1/t19-,20+,21?,22-;16-,17+,18?,19-;13-,14+,15?,16-;12-,13+,14?,15-;;;/m1111.../s1
• InChIKey: RITVWUXMUCSSGZ-WRMKUORQSA-N
• XLogP: 22.27
• TPSA: 455.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3467.37
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid?

The IUPAC name of N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid (CID 159944278) is N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid.

What is the SMILES notation for N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid?

The canonical SMILES for N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid is CCC(=O)N1[C@@H]2CCC[C@H]1CC(N(C)c1nc(Cl)cc(O[C@@H]3CCOC3)n1)C2.CCC(=O)N1[C@@H]2CCC[C@H]1CC(N(C)c1nc(Nc3cc(C)[nH]n3)cc(O[C@@H]3CCOC3)n1)C2.CCC(=O)N1[C@@H]2CCC[C@H]1CC(N(C)c1nc(Nc3cc(C)n(C(=O)OC(C)(C)C)n3)cc(O[C@@H]3CCOC3)n1)C2.CCC(=O)O.CN(c1nc(Cl)cc(O[C@@H]2CCOC2)n1)C1C[C@H]2CCC[C@@H](C1)C2.Cc1cc(N)nn1C(=O)OC(C)(C)C.I[I-]I(I)I(I)I(I)I(I)I.

What is the InChIKey of N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid?

The InChIKey is RITVWUXMUCSSGZ-WRMKUORQSA-N. The full InChI is InChI=1S/C29H43N7O5.C24H35N7O3.C20H29ClN4O3.C18H26ClN3O2.C9H15N3O2.C3H6O2.I11/c1-7-26(37)35-19-9-8-10-20(35)15-21(14-19)34(6)27-31-23(16-25(32-27)40-22-11-12-39-17-22)30-24-13-18(2)36(33-24)28(38)41-29(3,4)5;1-4-23(32)31-16-6-5-7-17(31)12-18(11-16)30(3)24-26-20(25-21-10-15(2)28-29-21)13-22(27-24)34-19-8-9-33-14-19;1-3-19(26)25-13-5-4-6-14(25)10-15(9-13)24(2)20-22-17(21)11-18(23-20)28-16-7-8-27-12-16;1-22(14-8-12-3-2-4-13(7-12)9-14)18-20-16(19)10-17(21-18)24-15-5-6-23-11-15;1-6-5-7(10)11-12(6)8(13)14-9(2,3)4;1-2-3(4)5;1-7-9(4)11(6)10(5)8(2)3/h13,16,19-22H,7-12,14-15,17H2,1-6H3,(H,30,31,32,33);10,13,16-19H,4-9,11-12,14H2,1-3H3,(H2,25,26,27,28,29);11,13-16H,3-10,12H2,1-2H3;10,12-15H,2-9,11H2,1H3;5H,1-4H3,(H2,10,11);2H2,1H3,(H,4,5);/q;;;;;;-1/t19-,20+,21?,22-;16-,17+,18?,19-;13-,14+,15?,16-;12-,13+,14?,15-;;;/m1111.../s1.

What are the key properties of N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid?

N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid has a molecular weight of 3467.37 g/mol, XLogP of 22.27, 28 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,5S)-3-bicyclo[3.3.1]nonanyl]-4-chloro-N-methyl-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine;tert-butyl 3-amino-5-methylpyrazole-1-carboxylate;tert-butyl 5-methyl-3-[[2-[methyl-[(1S,5R)-9-propanoyl-9-azabicyclo[3.3.1]nonan-3-yl]amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]amino]pyrazole-1-carboxylate;1-[(1S,5R)-3-[[4-chloro-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]-methylamino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;1-[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3R)-oxolan-3-yl]oxypyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propan-1-one;propanoic acid is sourced from PubChem (CID 159944278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).