(2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid

C161H227F3N40O27S2 — CID 158536589

About (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid

(2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid (PubChem CID 158536589) has the molecular formula C161H227F3N40O27S2 and a molecular weight of 3275.97 g/mol. Its IUPAC name is (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid.

Molecular Properties

• Compound Name: (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid
• PubChem CID: 158536589
• Molecular Formula: C161H227F3N40O27S2
• Molecular Weight: 3275.97 g/mol
• Exact Mass: 3273.70
• IUPAC Name: (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid
• SMILES: C[C@H](CNC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)c(F)c1)C(=O)O.C[C@H](CNC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)c(F)c1)C(=O)O.C[C@H](CNC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)cc1)C(=O)O.C[C@H](CNC(=O)c1ccc(N2CCCC(NC3=NCCCN3)C2)cc1)C(=O)O.C[C@H](CNC(=O)c1ccc(N2CCCC(NC3=NCCCN3)C2)cc1F)C(=O)O.C[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)C(=O)O.Cc1cc(C(=O)NC[C@@H](C)C(=O)O)ccc1N1CCC(NC2=NCCCN2)CC1.O=C(NC[C@@H](NS(=O)(=O)c1cccs1)C(=O)O)c1ccc(N2CCCC(NC3=NCCCN3)C2)cc1
• InChI: InChI=1S/C23H30N6O5S2.C21H31N5O3.3C20H28FN5O3.2C20H29N5O3.C17H24N4O4/c30-21(26-14-19(22(31)32)28-36(33,34)20-5-2-13-35-20)16-6-8-18(9-7-16)29-12-1-4-17(15-29)27-23-24-10-3-11-25-23;1-14-12-16(19(27)24-13-15(2)20(28)29)4-5-18(14)26-10-6-17(7-11-26)25-21-22-8-3-9-23-21;2*1-13(19(28)29)12-24-18(27)14-3-4-17(16(21)11-14)26-9-5-15(6-10-26)25-20-22-7-2-8-23-20;1-13(19(28)29)11-24-18(27)16-6-5-15(10-17(16)21)26-9-2-4-14(12-26)25-20-22-7-3-8-23-20;1-14(19(27)28)13-23-18(26)15-3-5-17(6-4-15)25-11-7-16(8-12-25)24-20-21-9-2-10-22-20;1-14(19(27)28)12-23-18(26)15-5-7-17(8-6-15)25-11-2-4-16(13-25)24-20-21-9-3-10-22-20;1-12(16(23)24)11-21-15(22)13-3-5-14(6-4-13)25-10-9-20-17-18-7-2-8-19-17/h2,5-9,13,17,19,28H,1,3-4,10-12,14-15H2,(H,26,30)(H,31,32)(H2,24,25,27);4-5,12,15,17H,3,6-11,13H2,1-2H3,(H,24,27)(H,28,29)(H2,22,23,25);2*3-4,11,13,15H,2,5-10,12H2,1H3,(H,24,27)(H,28,29)(H2,22,23,25);5-6,10,13-14H,2-4,7-9,11-12H2,1H3,(H,24,27)(H,28,29)(H2,22,23,25);3-6,14,16H,2,7-13H2,1H3,(H,23,26)(H,27,28)(H2,21,22,24);5-8,14,16H,2-4,9-13H2,1H3,(H,23,26)(H,27,28)(H2,21,22,24);3-6,12H,2,7-11H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t17?,19-;15-;2*13-;13-,14?;14-;14-,16?;12-/m11111111/s1
• InChIKey: HOABNHOKYGRABD-MYJSOICLSA-N
• XLogP: 8.27
• TPSA: 900.64 Ų
• H-Bond Donors: 33
• H-Bond Acceptors: 51
• Rotatable Bonds: 53
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3275.97
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	33
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid?

The IUPAC name of (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid (CID 158536589) is (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid.

What is the SMILES notation for (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid?

The canonical SMILES for (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid is C[C@H](CNC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)c(F)c1)C(=O)O.C[C@H](CNC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)c(F)c1)C(=O)O.C[C@H](CNC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)cc1)C(=O)O.C[C@H](CNC(=O)c1ccc(N2CCCC(NC3=NCCCN3)C2)cc1)C(=O)O.C[C@H](CNC(=O)c1ccc(N2CCCC(NC3=NCCCN3)C2)cc1F)C(=O)O.C[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)C(=O)O.Cc1cc(C(=O)NC[C@@H](C)C(=O)O)ccc1N1CCC(NC2=NCCCN2)CC1.O=C(NC[C@@H](NS(=O)(=O)c1cccs1)C(=O)O)c1ccc(N2CCCC(NC3=NCCCN3)C2)cc1.

What is the InChIKey of (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid?

The InChIKey is HOABNHOKYGRABD-MYJSOICLSA-N. The full InChI is InChI=1S/C23H30N6O5S2.C21H31N5O3.3C20H28FN5O3.2C20H29N5O3.C17H24N4O4/c30-21(26-14-19(22(31)32)28-36(33,34)20-5-2-13-35-20)16-6-8-18(9-7-16)29-12-1-4-17(15-29)27-23-24-10-3-11-25-23;1-14-12-16(19(27)24-13-15(2)20(28)29)4-5-18(14)26-10-6-17(7-11-26)25-21-22-8-3-9-23-21;2*1-13(19(28)29)12-24-18(27)14-3-4-17(16(21)11-14)26-9-5-15(6-10-26)25-20-22-7-2-8-23-20;1-13(19(28)29)11-24-18(27)16-6-5-15(10-17(16)21)26-9-2-4-14(12-26)25-20-22-7-3-8-23-20;1-14(19(27)28)13-23-18(26)15-3-5-17(6-4-15)25-11-7-16(8-12-25)24-20-21-9-2-10-22-20;1-14(19(27)28)12-23-18(26)15-5-7-17(8-6-15)25-11-2-4-16(13-25)24-20-21-9-3-10-22-20;1-12(16(23)24)11-21-15(22)13-3-5-14(6-4-13)25-10-9-20-17-18-7-2-8-19-17/h2,5-9,13,17,19,28H,1,3-4,10-12,14-15H2,(H,26,30)(H,31,32)(H2,24,25,27);4-5,12,15,17H,3,6-11,13H2,1-2H3,(H,24,27)(H,28,29)(H2,22,23,25);2*3-4,11,13,15H,2,5-10,12H2,1H3,(H,24,27)(H,28,29)(H2,22,23,25);5-6,10,13-14H,2-4,7-9,11-12H2,1H3,(H,24,27)(H,28,29)(H2,22,23,25);3-6,14,16H,2,7-13H2,1H3,(H,23,26)(H,27,28)(H2,21,22,24);5-8,14,16H,2-4,9-13H2,1H3,(H,23,26)(H,27,28)(H2,21,22,24);3-6,12H,2,7-11H2,1H3,(H,21,22)(H,23,24)(H2,18,19,20)/t17?,19-;15-;2*13-;13-,14?;14-;14-,16?;12-/m11111111/s1.

What are the key properties of (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid?

(2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid has a molecular weight of 3275.97 g/mol, XLogP of 8.27, 53 rotatable bonds, 33 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[[2-fluoro-4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid;bis((2R)-3-[[3-fluoro-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-methylpropanoic acid);(2R)-2-methyl-3-[[3-methyl-4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-2-methyl-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid;(2R)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]-2-(thiophen-2-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 158536589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).