1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

C120H156ClF16N11O24 — CID 164947483

About 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 164947483) has the molecular formula C120H156ClF16N11O24 and a molecular weight of 2476.04 g/mol. Its IUPAC name is 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 164947483
• Molecular Formula: C120H156ClF16N11O24
• Molecular Weight: 2476.04 g/mol
• Exact Mass: 2474.08
• IUPAC Name: 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CCCN2Cc2cc(F)ccc2OCC2(C(=O)O)CC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2Cc2ccc(Cl)cc2OCC2(OC=O)CC2)CC1)C(F)(F)F.Cc1cc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)cc(NCCC(=O)O)c1.Cc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c(OC2(C(=O)O)CC2)c1.Cc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c(OCC2(C(=O)O)CC2)c1
• InChI: InChI=1S/C25H33F3N2O5.C24H30ClF3N2O5.C24H30F4N2O5.C24H31F3N2O5.C23H32F3N3O4/c1-17-4-5-19(20(14-17)34-16-23(7-8-23)21(31)32)15-30-11-3-6-24(30)9-12-29(13-10-24)22(33)35-18(2)25(26,27)28;1-17(24(26,27)28)35-21(32)29-11-8-22(9-12-29)5-2-10-30(22)14-18-3-4-19(25)13-20(18)33-15-23(6-7-23)34-16-31;1-16(24(26,27)28)35-21(33)29-11-8-23(9-12-29)5-2-10-30(23)14-17-13-18(25)3-4-19(17)34-15-22(6-7-22)20(31)32;1-16-4-5-18(19(14-16)34-23(7-8-23)20(30)31)15-29-11-3-6-22(29)9-12-28(13-10-22)21(32)33-17(2)24(25,26)27;1-16-12-18(14-19(13-16)27-8-4-20(30)31)15-29-9-3-5-22(29)6-10-28(11-7-22)21(32)33-17(2)23(24,25)26/h4-5,14,18H,3,6-13,15-16H2,1-2H3,(H,31,32);3-4,13,16-17H,2,5-12,14-15H2,1H3;3-4,13,16H,2,5-12,14-15H2,1H3,(H,31,32);4-5,14,17H,3,6-13,15H2,1-2H3,(H,30,31);12-14,17,27H,3-11,15H2,1-2H3,(H,30,31)
• InChIKey: ABTBCCAUPSNGKK-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 388.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2476.04
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 164947483) is 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC2(CCCN2Cc2cc(F)ccc2OCC2(C(=O)O)CC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2Cc2ccc(Cl)cc2OCC2(OC=O)CC2)CC1)C(F)(F)F.Cc1cc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)cc(NCCC(=O)O)c1.Cc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c(OC2(C(=O)O)CC2)c1.Cc1ccc(CN2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c(OCC2(C(=O)O)CC2)c1.

What is the InChIKey of 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is ABTBCCAUPSNGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N2O5.C24H30ClF3N2O5.C24H30F4N2O5.C24H31F3N2O5.C23H32F3N3O4/c1-17-4-5-19(20(14-17)34-16-23(7-8-23)21(31)32)15-30-11-3-6-24(30)9-12-29(13-10-24)22(33)35-18(2)25(26,27)28;1-17(24(26,27)28)35-21(32)29-11-8-22(9-12-29)5-2-10-30(22)14-18-3-4-19(25)13-20(18)33-15-23(6-7-23)34-16-31;1-16(24(26,27)28)35-21(33)29-11-8-23(9-12-29)5-2-10-30(23)14-17-13-18(25)3-4-19(17)34-15-22(6-7-22)20(31)32;1-16-4-5-18(19(14-16)34-23(7-8-23)20(30)31)15-29-11-3-6-22(29)9-12-28(13-10-22)21(32)33-17(2)24(25,26)27;1-16-12-18(14-19(13-16)27-8-4-20(30)31)15-29-9-3-5-22(29)6-10-28(11-7-22)21(32)33-17(2)23(24,25)26/h4-5,14,18H,3,6-13,15-16H2,1-2H3,(H,31,32);3-4,13,16-17H,2,5-12,14-15H2,1H3;3-4,13,16H,2,5-12,14-15H2,1H3,(H,31,32);4-5,14,17H,3,6-13,15H2,1-2H3,(H,30,31);12-14,17,27H,3-11,15H2,1-2H3,(H,30,31).

What are the key properties of 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2476.04 g/mol, XLogP of 23.19, 35 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-fluoro-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;3-[3-methyl-5-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]anilino]propanoic acid;1-[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]cyclopropane-1-carboxylic acid;1-[[5-methyl-2-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1,1,1-trifluoropropan-2-yl 1-[[4-chloro-2-[(1-formyloxycyclopropyl)methoxy]phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 164947483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).