6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid

C108H148N14O33 — CID 159496862

About 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid

6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid (PubChem CID 159496862) has the molecular formula C108H148N14O33 and a molecular weight of 2170.44 g/mol. Its IUPAC name is 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid.

Molecular Properties

• Compound Name: 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid
• PubChem CID: 159496862
• Molecular Formula: C108H148N14O33
• Molecular Weight: 2170.44 g/mol
• Exact Mass: 2169.03
• IUPAC Name: 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid
• SMILES: CC(=O)C1CCC(C(=O)OCc2ccccc2)N1C(=O)OC(C)(C)C.CC(=O)C1CCC2(CN(OCc3ccccc3)C2=O)N1.CC(=O)C1CCC2(CN(OCc3ccccc3)C2=O)N1C.CC(=O)C1CCC2(CN(OCc3ccccc3)C2=O)N1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1C(C(=O)O)CCC1C(=O)O.CN1C(C(=O)O)CCC12CNC2=O.C[C@@H](O)[C@H](CC(=O)C1CCC2(CNC2=O)N1C)C(N)=O.O=C(O)C1CCC(C(=O)O)N1
• InChI: InChI=1S/C20H26N2O5.C19H25NO5.C16H20N2O3.C15H18N2O3.C13H21N3O4.C11H17NO6.C8H12N2O3.C6H9NO4/c1-14(23)16-10-11-20(22(16)18(25)27-19(2,3)4)13-21(17(20)24)26-12-15-8-6-5-7-9-15;1-13(21)15-10-11-16(20(15)18(23)25-19(2,3)4)17(22)24-12-14-8-6-5-7-9-14;1-12(19)14-8-9-16(17(14)2)11-18(15(16)20)21-10-13-6-4-3-5-7-13;1-11(18)13-7-8-15(16-13)10-17(14(15)19)20-9-12-5-3-2-4-6-12;1-7(17)8(11(14)19)5-10(18)9-3-4-13(16(9)2)6-15-12(13)20;1-11(2,3)18-10(17)12-6(8(13)14)4-5-7(12)9(15)16;1-10-5(6(11)12)2-3-8(10)4-9-7(8)13;8-5(9)3-1-2-4(7-3)6(10)11/h5-9,16H,10-13H2,1-4H3;5-9,15-16H,10-12H2,1-4H3;3-7,14H,8-11H2,1-2H3;2-6,13,16H,7-10H2,1H3;7-9,17H,3-6H2,1-2H3,(H2,14,19)(H,15,20);6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16);5H,2-4H2,1H3,(H,9,13)(H,11,12);3-4,7H,1-2H2,(H,8,9)(H,10,11)/t;;;;7-,8+,9?,13?;;;/m....1.../s1
• InChIKey: LYWWGKHZBPJRRP-PWAUSOQGSA-N
• XLogP: 5.82
• TPSA: 630.69 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2170.44
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid?

The IUPAC name of 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid (CID 159496862) is 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid.

What is the SMILES notation for 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid?

The canonical SMILES for 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid is CC(=O)C1CCC(C(=O)OCc2ccccc2)N1C(=O)OC(C)(C)C.CC(=O)C1CCC2(CN(OCc3ccccc3)C2=O)N1.CC(=O)C1CCC2(CN(OCc3ccccc3)C2=O)N1C.CC(=O)C1CCC2(CN(OCc3ccccc3)C2=O)N1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1C(C(=O)O)CCC1C(=O)O.CN1C(C(=O)O)CCC12CNC2=O.C[C@@H](O)[C@H](CC(=O)C1CCC2(CNC2=O)N1C)C(N)=O.O=C(O)C1CCC(C(=O)O)N1.

What is the InChIKey of 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid?

The InChIKey is LYWWGKHZBPJRRP-PWAUSOQGSA-N. The full InChI is InChI=1S/C20H26N2O5.C19H25NO5.C16H20N2O3.C15H18N2O3.C13H21N3O4.C11H17NO6.C8H12N2O3.C6H9NO4/c1-14(23)16-10-11-20(22(16)18(25)27-19(2,3)4)13-21(17(20)24)26-12-15-8-6-5-7-9-15;1-13(21)15-10-11-16(20(15)18(23)25-19(2,3)4)17(22)24-12-14-8-6-5-7-9-14;1-12(19)14-8-9-16(17(14)2)11-18(15(16)20)21-10-13-6-4-3-5-7-13;1-11(18)13-7-8-15(16-13)10-17(14(15)19)20-9-12-5-3-2-4-6-12;1-7(17)8(11(14)19)5-10(18)9-3-4-13(16(9)2)6-15-12(13)20;1-11(2,3)18-10(17)12-6(8(13)14)4-5-7(12)9(15)16;1-10-5(6(11)12)2-3-8(10)4-9-7(8)13;8-5(9)3-1-2-4(7-3)6(10)11/h5-9,16H,10-13H2,1-4H3;5-9,15-16H,10-12H2,1-4H3;3-7,14H,8-11H2,1-2H3;2-6,13,16H,7-10H2,1H3;7-9,17H,3-6H2,1-2H3,(H2,14,19)(H,15,20);6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16);5H,2-4H2,1H3,(H,9,13)(H,11,12);3-4,7H,1-2H2,(H,8,9)(H,10,11)/t;;;;7-,8+,9?,13?;;;/m....1.../s1.

What are the key properties of 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid?

6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid has a molecular weight of 2170.44 g/mol, XLogP of 5.82, 26 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid is sourced from PubChem (CID 159496862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).