tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde

C128H138F4N22O30 — CID 167547151

About tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde

tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde (PubChem CID 167547151) has the molecular formula C128H138F4N22O30 and a molecular weight of 2540.63 g/mol. Its IUPAC name is tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde
• PubChem CID: 167547151
• Molecular Formula: C128H138F4N22O30
• Molecular Weight: 2540.63 g/mol
• Exact Mass: 2538.99
• IUPAC Name: tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde
• SMILES: CC(C)(C)OC(=O)CN.CC(C)(C)OC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CCCCC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1.CN(CCC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1)C(=O)CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=CC(F)(F)F
• InChI: InChI=1S/C44H46N8O8.C29H35N5O3.C19H21N3O6.C15H13N3O6.C13H9FN2O4.C6H13NO2.C2HF3O/c1-49(35(54)17-12-27-6-5-9-31-37(27)44(59)51(43(31)58)33-15-16-34(53)47-42(33)57)23-21-36(55)50-24-19-26(20-25-50)32-18-22-46-41-38(40(45)56)39(48-52(32)41)28-10-13-30(14-11-28)60-29-7-3-2-4-8-29;1-2-3-9-25(35)33-18-15-20(16-19-33)24-14-17-31-29-26(28(30)36)27(32-34(24)29)21-10-12-23(13-11-21)37-22-7-5-4-6-8-22;1-19(2,3)28-14(24)9-20-11-6-4-5-10-15(11)18(27)22(17(10)26)12-7-8-13(23)21-16(12)25;19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-6(2,3)9-5(8)4-7;3-2(4,5)1-6/h2-11,13-14,26,32-33,46H,12,15-25H2,1H3,(H2,45,56)(H,47,53,57);4-8,10-13,20,24,31H,2-3,9,14-19H2,1H3,(H2,30,36);4-6,12,20H,7-9H2,1-3H3,(H,21,23,25);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);1-3,8H,4-5H2,(H,15,17,18);4,7H2,1-3H3;1H/t32-,33?;24-;;;;;/m00...../s1
• InChIKey: BXYVMGIXMZGQNX-GNTNBKQCSA-N
• XLogP: 10.83
• TPSA: 716.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2540.63
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The IUPAC name of tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde (CID 167547151) is tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)CN.CC(C)(C)OC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.CCCCC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1.CN(CCC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1)C(=O)CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=CC(F)(F)F.

What is the InChIKey of tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The InChIKey is BXYVMGIXMZGQNX-GNTNBKQCSA-N. The full InChI is InChI=1S/C44H46N8O8.C29H35N5O3.C19H21N3O6.C15H13N3O6.C13H9FN2O4.C6H13NO2.C2HF3O/c1-49(35(54)17-12-27-6-5-9-31-37(27)44(59)51(43(31)58)33-15-16-34(53)47-42(33)57)23-21-36(55)50-24-19-26(20-25-50)32-18-22-46-41-38(40(45)56)39(48-52(32)41)28-10-13-30(14-11-28)60-29-7-3-2-4-8-29;1-2-3-9-25(35)33-18-15-20(16-19-33)24-14-17-31-29-26(28(30)36)27(32-34(24)29)21-10-12-23(13-11-21)37-22-7-5-4-6-8-22;1-19(2,3)28-14(24)9-20-11-6-4-5-10-15(11)18(27)22(17(10)26)12-7-8-13(23)21-16(12)25;19-10-5-4-9(13(22)17-10)18-14(23)7-2-1-3-8(12(7)15(18)24)16-6-11(20)21;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-6(2,3)9-5(8)4-7;3-2(4,5)1-6/h2-11,13-14,26,32-33,46H,12,15-25H2,1H3,(H2,45,56)(H,47,53,57);4-8,10-13,20,24,31H,2-3,9,14-19H2,1H3,(H2,30,36);4-6,12,20H,7-9H2,1-3H3,(H,21,23,25);1-3,9,16H,4-6H2,(H,20,21)(H,17,19,22);1-3,8H,4-5H2,(H,15,17,18);4,7H2,1-3H3;1H/t32-,33?;24-;;;;;/m00...../s1.

What are the key properties of tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde?

tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 2540.63 g/mol, XLogP of 10.83, 30 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-aminoacetate;tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetate;2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid;(7S)-7-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;(7S)-7-(1-pentanoylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 167547151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).