bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate

C136H177F21N14O26 — CID 158910757

About bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate

bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 158910757) has the molecular formula C136H177F21N14O26 and a molecular weight of 2822.94 g/mol. Its IUPAC name is bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 158910757
• Molecular Formula: C136H177F21N14O26
• Molecular Weight: 2822.94 g/mol
• Exact Mass: 2821.26
• IUPAC Name: bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CCCN2Cc2cc(CN3CCC(C(=O)O)C3)cc(C(F)(F)F)c2)CC1)C(F)(F)F.COc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)cc1C(=O)O.Cc1ccc(CN2CCC3(CCN(C(=O)OC(C)C(F)(F)F)CC3)C2)c(N2CCOC(C)(C(=O)O)C2)c1.Cc1ccc(CN2CCC3(CCN(C(=O)OC(C)C(F)(F)F)CC3)C2)cc1.Cc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)cc1.Cc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)cc1C(=O)O.O=C=O.O=C=O
• InChI: InChI=1S/C26H33F6N3O4.C26H36F3N3O5.C21H27F3N2O5.C21H27F3N2O4.2C20H27F3N2O2.2CO2/c1-17(25(27,28)29)39-23(38)34-9-5-24(6-10-34)4-2-7-35(24)15-19-11-18(12-21(13-19)26(30,31)32)14-33-8-3-20(16-33)22(36)37;1-18-4-5-20(21(14-18)32-12-13-36-24(3,16-32)22(33)34)15-30-9-6-25(17-30)7-10-31(11-8-25)23(35)37-19(2)26(27,28)29;1-14(21(22,23)24)31-19(29)25-10-7-20(8-11-25)6-3-9-26(20)13-15-4-5-17(30-2)16(12-15)18(27)28;1-14-4-5-16(12-17(14)18(27)28)13-26-9-3-6-20(26)7-10-25(11-8-20)19(29)30-15(2)21(22,23)24;1-15-4-6-17(7-5-15)14-25-11-3-8-19(25)9-12-24(13-10-19)18(26)27-16(2)20(21,22)23;1-15-3-5-17(6-4-15)13-24-10-7-19(14-24)8-11-25(12-9-19)18(26)27-16(2)20(21,22)23;2*2-1-3/h11-13,17,20H,2-10,14-16H2,1H3,(H,36,37);4-5,14,19H,6-13,15-17H2,1-3H3,(H,33,34);4-5,12,14H,3,6-11,13H2,1-2H3,(H,27,28);4-5,12,15H,3,6-11,13H2,1-2H3,(H,27,28);4-7,16H,3,8-14H2,1-2H3;3-6,16H,7-14H2,1-2H3
• InChIKey: JGPPDTISXYJTKS-UHFFFAOYSA-N
• XLogP: 25.02
• TPSA: 439.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2822.94
LogP ≤ 5	25.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 158910757) is bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC2(CCCN2Cc2cc(CN3CCC(C(=O)O)C3)cc(C(F)(F)F)c2)CC1)C(F)(F)F.COc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)cc1C(=O)O.Cc1ccc(CN2CCC3(CCN(C(=O)OC(C)C(F)(F)F)CC3)C2)c(N2CCOC(C)(C(=O)O)C2)c1.Cc1ccc(CN2CCC3(CCN(C(=O)OC(C)C(F)(F)F)CC3)C2)cc1.Cc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)cc1.Cc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)cc1C(=O)O.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is JGPPDTISXYJTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F6N3O4.C26H36F3N3O5.C21H27F3N2O5.C21H27F3N2O4.2C20H27F3N2O2.2CO2/c1-17(25(27,28)29)39-23(38)34-9-5-24(6-10-34)4-2-7-35(24)15-19-11-18(12-21(13-19)26(30,31)32)14-33-8-3-20(16-33)22(36)37;1-18-4-5-20(21(14-18)32-12-13-36-24(3,16-32)22(33)34)15-30-9-6-25(17-30)7-10-31(11-8-25)23(35)37-19(2)26(27,28)29;1-14(21(22,23)24)31-19(29)25-10-7-20(8-11-25)6-3-9-26(20)13-15-4-5-17(30-2)16(12-15)18(27)28;1-14-4-5-16(12-17(14)18(27)28)13-26-9-3-6-20(26)7-10-25(11-8-20)19(29)30-15(2)21(22,23)24;1-15-4-6-17(7-5-15)14-25-11-3-8-19(25)9-12-24(13-10-19)18(26)27-16(2)20(21,22)23;1-15-3-5-17(6-4-15)13-24-10-7-19(14-24)8-11-25(12-9-19)18(26)27-16(2)20(21,22)23;2*2-1-3/h11-13,17,20H,2-10,14-16H2,1H3,(H,36,37);4-5,14,19H,6-13,15-17H2,1-3H3,(H,33,34);4-5,12,14H,3,6-11,13H2,1-2H3,(H,27,28);4-5,12,15H,3,6-11,13H2,1-2H3,(H,27,28);4-7,16H,3,8-14H2,1-2H3;3-6,16H,7-14H2,1-2H3;;.

What are the key properties of bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate?

bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2822.94 g/mol, XLogP of 25.02, 26 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);2-methoxy-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;2-methyl-4-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]morpholine-2-carboxylic acid;2-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzoic acid;1-[[3-(trifluoromethyl)-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[(4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 158910757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).