4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride

C116H158Cl3N15O36S — CID 159774212

About 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride

4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride (PubChem CID 159774212) has the molecular formula C116H158Cl3N15O36S and a molecular weight of 2477.03 g/mol. Its IUPAC name is 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride.

Molecular Properties

• Compound Name: 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride
• PubChem CID: 159774212
• Molecular Formula: C116H158Cl3N15O36S
• Molecular Weight: 2477.03 g/mol
• Exact Mass: 2473.98
• IUPAC Name: 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride
• SMILES: CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.COCCOS(=O)(=O)c1ccc(C)cc1.COCCO[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2)N(C(=O)Nc2ccc(Cl)cc2)C1.COCCO[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2)N(C(=O)OC(C)(C)C)C1.COCCO[C@@H]1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.COCCO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2)C1.Nc1ccc(N2CCOCC2=O)cc1.O=C=Nc1ccc(Cl)cc1.[Cl-]
• InChI: InChI=1S/C25H29ClN4O6.C23H33N3O7.C18H25N3O5.C13H23NO6.C10H12N2O2.C10H17NO5.C10H14O4S.C7H4ClNO.ClH/c1-34-12-13-36-21-14-22(30(15-21)25(33)28-19-4-2-17(26)3-5-19)24(32)27-18-6-8-20(9-7-18)29-10-11-35-16-23(29)31;1-23(2,3)33-22(29)26-14-18(32-12-11-30-4)13-19(26)21(28)24-16-5-7-17(8-6-16)25-9-10-31-15-20(25)27;1-24-8-9-26-15-10-16(19-11-15)18(23)20-13-2-4-14(5-3-13)21-6-7-25-12-17(21)22;1-13(2,3)20-12(17)14-8-9(19-6-5-18-4)7-10(14)11(15)16;11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2;8-6-1-3-7(4-2-6)9-5-10;/h2-9,21-22H,10-16H2,1H3,(H,27,32)(H,28,33);5-8,18-19H,9-15H2,1-4H3,(H,24,28);2-5,15-16,19H,6-12H2,1H3,(H,20,23);9-10H,5-8H2,1-4H3,(H,15,16);1-4H,5-7,11H2;6-7,12H,4-5H2,1-3H3,(H,13,14);3-6H,7-8H2,1-2H3;1-4H;1H/t21-,22-;18-,19-;15-,16-;9-,10-;;6-,7-;;;/m1111.1.../s1
• InChIKey: PIGPFUJKBKMAHZ-PKVFSWEUSA-N
• XLogP: 7.21
• TPSA: 619.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2477.03
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride?

The IUPAC name of 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride (CID 159774212) is 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride.

What is the SMILES notation for 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride?

The canonical SMILES for 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride is CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.COCCOS(=O)(=O)c1ccc(C)cc1.COCCO[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2)N(C(=O)Nc2ccc(Cl)cc2)C1.COCCO[C@@H]1C[C@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2)N(C(=O)OC(C)(C)C)C1.COCCO[C@@H]1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.COCCO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(N3CCOCC3=O)cc2)C1.Nc1ccc(N2CCOCC2=O)cc1.O=C=Nc1ccc(Cl)cc1.[Cl-].

What is the InChIKey of 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride?

The InChIKey is PIGPFUJKBKMAHZ-PKVFSWEUSA-N. The full InChI is InChI=1S/C25H29ClN4O6.C23H33N3O7.C18H25N3O5.C13H23NO6.C10H12N2O2.C10H17NO5.C10H14O4S.C7H4ClNO.ClH/c1-34-12-13-36-21-14-22(30(15-21)25(33)28-19-4-2-17(26)3-5-19)24(32)27-18-6-8-20(9-7-18)29-10-11-35-16-23(29)31;1-23(2,3)33-22(29)26-14-18(32-12-11-30-4)13-19(26)21(28)24-16-5-7-17(8-6-16)25-9-10-31-15-20(25)27;1-24-8-9-26-15-10-16(19-11-15)18(23)20-13-2-4-14(5-3-13)21-6-7-25-12-17(21)22;1-13(2,3)20-12(17)14-8-9(19-6-5-18-4)7-10(14)11(15)16;11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2;8-6-1-3-7(4-2-6)9-5-10;/h2-9,21-22H,10-16H2,1H3,(H,27,32)(H,28,33);5-8,18-19H,9-15H2,1-4H3,(H,24,28);2-5,15-16,19H,6-12H2,1H3,(H,20,23);9-10H,5-8H2,1-4H3,(H,15,16);1-4H,5-7,11H2;6-7,12H,4-5H2,1-3H3,(H,13,14);3-6H,7-8H2,1-2H3;1-4H;1H/t21-,22-;18-,19-;15-,16-;9-,10-;;6-,7-;;;/m1111.1.../s1.

What are the key properties of 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride?

4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride has a molecular weight of 2477.03 g/mol, XLogP of 7.21, 35 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminophenyl)morpholin-3-one;tert-butyl (2R,4R)-4-(2-methoxyethoxy)-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;1-chloro-4-isocyanatobenzene;(2R,4R)-1-N-(4-chlorophenyl)-4-(2-methoxyethoxy)-2-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2R,4R)-4-(2-methoxyethoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-2-carboxamide;2-methoxyethyl 4-methylbenzenesulfonate;chloride is sourced from PubChem (CID 159774212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).