3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C144H144BBr3F14N18O21 — CID 157381136

About 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 157381136) has the molecular formula C144H144BBr3F14N18O21 and a molecular weight of 2979.34 g/mol. Its IUPAC name is 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• PubChem CID: 157381136
• Molecular Formula: C144H144BBr3F14N18O21
• Molecular Weight: 2979.34 g/mol
• Exact Mass: 2974.82
• IUPAC Name: 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• SMILES: CC(C)(C)OC(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)cc1.CC(C)(C)OC(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)cc1.CC(C)(C)OC(=O)N1C(=O)NCC1c1ccc(F)cc1.CC(C)(C)OC(=O)NC(CC(=O)O)c1ccc(F)cc1.CN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1ccc(F)cc1.CN1C(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1c1ccc(F)cc1.NC(CC(=O)O)c1ccc(F)cc1.O=C1CC(c2ccc(F)cn2)CN1c1ccc(Br)c(F)c1.O=Cc1ccc(F)cc1
• InChI: InChI=1S/C23H20F2N6O.C22H25BF2N2O3.2C20H19BrF2N2O3.C15H11BrF2N2O.C14H17FN2O3.C14H18FNO4.C9H10FNO2.C7H5FO/c1-29-10-17(20-21(26)27-12-28-22(20)29)16-8-7-15(9-18(16)25)31-11-19(30(2)23(31)32)13-3-5-14(24)6-4-13;1-21(2)22(3,4)30-23(29-21)17-11-10-16(12-18(17)25)27-13-19(26(5)20(27)28)14-6-8-15(24)9-7-14;2*1-20(2,3)28-19(27)25-17(12-4-6-13(22)7-5-12)11-24(18(25)26)14-8-9-15(21)16(23)10-14;16-12-3-2-11(6-13(12)18)20-8-9(5-15(20)21)14-4-1-10(17)7-19-14;1-14(2,3)20-13(19)17-11(8-16-12(17)18)9-4-6-10(15)7-5-9;1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9;10-7-3-1-6(2-4-7)8(11)5-9(12)13;8-7-3-1-6(5-9)2-4-7/h3-10,12,19H,11H2,1-2H3,(H2,26,27,28);6-12,19H,13H2,1-5H3;2*4-10,17H,11H2,1-3H3;1-4,6-7,9H,5,8H2;4-7,11H,8H2,1-3H3,(H,16,18);4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18);1-4,8H,5,11H2,(H,12,13);1-5H
• InChIKey: BKWYHOJYHPDGDF-UHFFFAOYSA-N
• XLogP: 31.55
• TPSA: 469.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2979.34
LogP ≤ 5	31.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

The IUPAC name of 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 157381136) is 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

What is the SMILES notation for 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

The canonical SMILES for 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)cc1.CC(C)(C)OC(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)cc1.CC(C)(C)OC(=O)N1C(=O)NCC1c1ccc(F)cc1.CC(C)(C)OC(=O)NC(CC(=O)O)c1ccc(F)cc1.CN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1ccc(F)cc1.CN1C(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1c1ccc(F)cc1.NC(CC(=O)O)c1ccc(F)cc1.O=C1CC(c2ccc(F)cn2)CN1c1ccc(Br)c(F)c1.O=Cc1ccc(F)cc1.

What is the InChIKey of 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

The InChIKey is BKWYHOJYHPDGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O.C22H25BF2N2O3.2C20H19BrF2N2O3.C15H11BrF2N2O.C14H17FN2O3.C14H18FNO4.C9H10FNO2.C7H5FO/c1-29-10-17(20-21(26)27-12-28-22(20)29)16-8-7-15(9-18(16)25)31-11-19(30(2)23(31)32)13-3-5-14(24)6-4-13;1-21(2)22(3,4)30-23(29-21)17-11-10-16(12-18(17)25)27-13-19(26(5)20(27)28)14-6-8-15(24)9-7-14;2*1-20(2,3)28-19(27)25-17(12-4-6-13(22)7-5-12)11-24(18(25)26)14-8-9-15(21)16(23)10-14;16-12-3-2-11(6-13(12)18)20-8-9(5-15(20)21)14-4-1-10(17)7-19-14;1-14(2,3)20-13(19)17-11(8-16-12(17)18)9-4-6-10(15)7-5-9;1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9;10-7-3-1-6(2-4-7)8(11)5-9(12)13;8-7-3-1-6(5-9)2-4-7/h3-10,12,19H,11H2,1-2H3,(H2,26,27,28);6-12,19H,13H2,1-5H3;2*4-10,17H,11H2,1-3H3;1-4,6-7,9H,5,8H2;4-7,11H,8H2,1-3H3,(H,16,18);4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18);1-4,8H,5,11H2,(H,12,13);1-5H.

What are the key properties of 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?

3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 2979.34 g/mol, XLogP of 31.55, 21 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-3-(4-fluorophenyl)propanoic acid;1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one;bis(tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate);tert-butyl 5-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-fluorobenzaldehyde;4-(4-fluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one;3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 157381136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).