tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid

C122H127F3N26O23 — CID 158297037

About tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid

tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid (PubChem CID 158297037) has the molecular formula C122H127F3N26O23 and a molecular weight of 2382.51 g/mol. Its IUPAC name is tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid.

Molecular Properties

• Compound Name: tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid
• PubChem CID: 158297037
• Molecular Formula: C122H127F3N26O23
• Molecular Weight: 2382.51 g/mol
• Exact Mass: 2380.95
• IUPAC Name: tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid
• SMILES: CC(C)(C)OC(=O)CN.CN1C(=O)CCC(N2C(=O)c3ccc(F)cc3C2=O)C1=O.CN1C(=O)CCC(N2C(=O)c3ccc(NCC(=O)N4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)cc3C2=O)C1=O.CN1C(=O)CCC(N2C(=O)c3ccc(NCC(=O)O)cc3C2=O)C1=O.CN1C(=O)CCC(N2C(=O)c3ccc(NCC(=O)OC(C)(C)C)cc3C2=O)C1=O.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)n4)n3n2)c1
• InChI: InChI=1S/C41H39FN10O5.C25H26FN7.C20H23N3O6.C16H15N3O6.C14H11FN2O4.C6H13NO2/c1-47-37(53)15-12-32(41(47)57)51-39(55)28-11-10-27(22-29(28)40(51)56)43-24-38(54)49-19-17-48(18-20-49)35-9-3-7-30(45-35)33-23-44-34-13-14-36(46-52(33)34)50-16-4-8-31(50)25-5-2-6-26(42)21-25;26-19-5-1-4-18(16-19)21-7-3-13-32(21)25-10-9-23-28-17-22(33(23)30-25)20-6-2-8-24(29-20)31-14-11-27-12-15-31;1-20(2,3)29-16(25)10-21-11-5-6-12-13(9-11)18(27)23(17(12)26)14-7-8-15(24)22(4)19(14)28;1-18-12(20)5-4-11(16(18)25)19-14(23)9-3-2-8(17-7-13(21)22)6-10(9)15(19)24;1-16-11(18)5-4-10(14(16)21)17-12(19)8-3-2-7(15)6-9(8)13(17)20;1-6(2,3)9-5(8)4-7/h2-3,5-7,9-11,13-14,21-23,31-32,43H,4,8,12,15-20,24H2,1H3;1-2,4-6,8-10,16-17,21,27H,3,7,11-15H2;5-6,9,14,21H,7-8,10H2,1-4H3;2-3,6,11,17H,4-5,7H2,1H3,(H,21,22);2-3,6,10H,4-5H2,1H3;4,7H2,1-3H3/t31-,32?;21-;;;;/m11..../s1
• InChIKey: GMAQTBSDAKVSNJ-VVMUEIDBSA-N
• XLogP: 9.42
• TPSA: 582.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 22
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2382.51
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid?

The IUPAC name of tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid (CID 158297037) is tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid.

What is the SMILES notation for tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid?

The canonical SMILES for tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid is CC(C)(C)OC(=O)CN.CN1C(=O)CCC(N2C(=O)c3ccc(F)cc3C2=O)C1=O.CN1C(=O)CCC(N2C(=O)c3ccc(NCC(=O)N4CCN(c5cccc(-c6cnc7ccc(N8CCC[C@@H]8c8cccc(F)c8)nn67)n5)CC4)cc3C2=O)C1=O.CN1C(=O)CCC(N2C(=O)c3ccc(NCC(=O)O)cc3C2=O)C1=O.CN1C(=O)CCC(N2C(=O)c3ccc(NCC(=O)OC(C)(C)C)cc3C2=O)C1=O.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)n4)n3n2)c1.

What is the InChIKey of tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid?

The InChIKey is GMAQTBSDAKVSNJ-VVMUEIDBSA-N. The full InChI is InChI=1S/C41H39FN10O5.C25H26FN7.C20H23N3O6.C16H15N3O6.C14H11FN2O4.C6H13NO2/c1-47-37(53)15-12-32(41(47)57)51-39(55)28-11-10-27(22-29(28)40(51)56)43-24-38(54)49-19-17-48(18-20-49)35-9-3-7-30(45-35)33-23-44-34-13-14-36(46-52(33)34)50-16-4-8-31(50)25-5-2-6-26(42)21-25;26-19-5-1-4-18(16-19)21-7-3-13-32(21)25-10-9-23-28-17-22(33(23)30-25)20-6-2-8-24(29-20)31-14-11-27-12-15-31;1-20(2,3)29-16(25)10-21-11-5-6-12-13(9-11)18(27)23(17(12)26)14-7-8-15(24)22(4)19(14)28;1-18-12(20)5-4-11(16(18)25)19-14(23)9-3-2-8(17-7-13(21)22)6-10(9)15(19)24;1-16-11(18)5-4-10(14(16)21)17-12(19)8-3-2-7(15)6-9(8)13(17)20;1-6(2,3)9-5(8)4-7/h2-3,5-7,9-11,13-14,21-23,31-32,43H,4,8,12,15-20,24H2,1H3;1-2,4-6,8-10,16-17,21,27H,3,7,11-15H2;5-6,9,14,21H,7-8,10H2,1-4H3;2-3,6,11,17H,4-5,7H2,1H3,(H,21,22);2-3,6,10H,4-5H2,1H3;4,7H2,1-3H3/t31-,32?;21-;;;;/m11..../s1.

What are the key properties of tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid?

tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid has a molecular weight of 2382.51 g/mol, XLogP of 9.42, 22 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetate;5-fluoro-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-piperazin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazine;2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetic acid is sourced from PubChem (CID 158297037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).