6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine

C84H119FN12O26 — CID 157383786

About 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine

6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine (PubChem CID 157383786) has the molecular formula C84H119FN12O26 and a molecular weight of 1731.93 g/mol. Its IUPAC name is 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine.

Molecular Properties

• Compound Name: 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine
• PubChem CID: 157383786
• Molecular Formula: C84H119FN12O26
• Molecular Weight: 1731.93 g/mol
• Exact Mass: 1730.83
• IUPAC Name: 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine
• SMILES: CC(C)(C)N.CC(C)(C)NC(=O)C(=O)c1cc(C(=O)O)c2n1CCN(C(=O)OC(C)(C)C)C2.CCOC(=O)C(=O)c1cc(C(=O)OC)c2n1CCN(C(=O)OC(C)(C)C)C2.COC(=O)c1cc(C(=O)C(=O)NC(C)(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2.COC(=O)c1cc(C(=O)C(=O)O)n2c1CN(C(=O)OC(C)(C)C)CC2.Cc1cc(N)ccc1F
• InChI: InChI=1S/C20H29N3O6.C19H27N3O6.C18H24N2O7.C16H20N2O7.C7H8FN.C4H11N/c1-19(2,3)21-16(25)15(24)13-10-12(17(26)28-7)14-11-22(8-9-23(13)14)18(27)29-20(4,5)6;1-18(2,3)20-15(24)14(23)12-9-11(16(25)26)13-10-21(7-8-22(12)13)17(27)28-19(4,5)6;1-6-26-16(23)14(21)12-9-11(15(22)25-5)13-10-19(7-8-20(12)13)17(24)27-18(2,3)4;1-16(2,3)25-15(23)17-5-6-18-10(12(19)13(20)21)7-9(11(18)8-17)14(22)24-4;1-5-4-6(9)2-3-7(5)8;1-4(2,3)5/h10H,8-9,11H2,1-7H3,(H,21,25);9H,7-8,10H2,1-6H3,(H,20,24)(H,25,26);9H,6-8,10H2,1-5H3;7H,5-6,8H2,1-4H3,(H,20,21);2-4H,9H2,1H3;5H2,1-3H3
• InChIKey: BLEOFBKPNKGVNB-UHFFFAOYSA-N
• XLogP: 9.68
• TPSA: 496.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1731.93
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine?

The IUPAC name of 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine (CID 157383786) is 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine.

What is the SMILES notation for 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine?

The canonical SMILES for 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine is CC(C)(C)N.CC(C)(C)NC(=O)C(=O)c1cc(C(=O)O)c2n1CCN(C(=O)OC(C)(C)C)C2.CCOC(=O)C(=O)c1cc(C(=O)OC)c2n1CCN(C(=O)OC(C)(C)C)C2.COC(=O)c1cc(C(=O)C(=O)NC(C)(C)C)n2c1CN(C(=O)OC(C)(C)C)CC2.COC(=O)c1cc(C(=O)C(=O)O)n2c1CN(C(=O)OC(C)(C)C)CC2.Cc1cc(N)ccc1F.

What is the InChIKey of 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine?

The InChIKey is BLEOFBKPNKGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6.C19H27N3O6.C18H24N2O7.C16H20N2O7.C7H8FN.C4H11N/c1-19(2,3)21-16(25)15(24)13-10-12(17(26)28-7)14-11-22(8-9-23(13)14)18(27)29-20(4,5)6;1-18(2,3)20-15(24)14(23)12-9-11(16(25)26)13-10-21(7-8-22(12)13)17(27)28-19(4,5)6;1-6-26-16(23)14(21)12-9-11(15(22)25-5)13-10-19(7-8-20(12)13)17(24)27-18(2,3)4;1-16(2,3)25-15(23)17-5-6-18-10(12(19)13(20)21)7-9(11(18)8-17)14(22)24-4;1-5-4-6(9)2-3-7(5)8;1-4(2,3)5/h10H,8-9,11H2,1-7H3,(H,21,25);9H,7-8,10H2,1-6H3,(H,20,24)(H,25,26);9H,6-8,10H2,1-5H3;7H,5-6,8H2,1-4H3,(H,20,21);2-4H,9H2,1H3;5H2,1-3H3.

What are the key properties of 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine?

6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine has a molecular weight of 1731.93 g/mol, XLogP of 9.68, 13 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(tert-butylamino)-2-oxoacetyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid;2-O-tert-butyl 8-O-methyl 6-[2-(tert-butylamino)-2-oxoacetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;2-O-tert-butyl 8-O-methyl 6-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylate;4-fluoro-3-methylaniline;2-[8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]-2-oxoacetic acid;2-methylpropan-2-amine is sourced from PubChem (CID 157383786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).