(2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

C162H195F14N7O23 — CID 157098071

IUPAC(2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(NO)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1C2CC(C2)N1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CC2(CC2)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CCC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F)N1C[C@H](F)C[C@H]1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C28H31F8NO3.C28H34FNO4.C27H32FNO4.C27H34FNO4.C26H32F2N2O4.C26H32FNO4/c29-18-6-23(26(39,27(31,32)33)28(34,35)36)37(12-18)24(38)20-7-19(17-1-2-17)22(8-21(20)30)40-13-25-9-14-3-15(10-25)5-16(4-14)11-25;29-22-9-24(34-15-28-10-16-5-17(11-28)7-18(6-16)12-28)20(19-1-2-19)8-21(22)25(31)30-14-27(3-4-27)13-23(30)26(32)33;28-22-9-23(33-13-27-10-14-3-15(11-27)5-16(4-14)12-27)20(17-1-2-17)8-21(22)25(30)29-19-6-18(7-19)24(29)26(31)32;28-22-11-24(33-15-27-12-16-7-17(13-27)9-18(8-16)14-27)20(19-3-1-4-19)10-21(22)25(30)29-6-2-5-23(29)26(31)32;27-18-6-22(24(31)29-33)30(12-18)25(32)20-7-19(17-1-2-17)23(8-21(20)28)34-13-26-9-14-3-15(10-26)5-16(4-14)11-26;27-21-10-23(32-14-26-11-15-6-16(12-26)8-17(7-15)13-26)19(18-3-4-18)9-20(21)24(29)28-5-1-2-22(28)25(30)31/h7-8,14-18,23,39H,1-6,9-13H2;8-9,16-19,23H,1-7,10-15H2,(H,32,33);8-9,14-19,24H,1-7,10-13H2,(H,31,32);10-11,16-19,23H,1-9,12-15H2,(H,31,32);7-8,14-18,22,33H,1-6,9-13H2,(H,29,31);9-10,15-18,22H,1-8,11-14H2,(H,30,31)/t14?,15?,16?,18-,23+,25?;16?,17?,18?,23-,28?;14?,15?,16?,18?,19?,24-,27?;16?,17?,18?,23-,27?;14?,15?,16?,18-,22+,26?;15?,16?,17?,22-,26?/m100010/s1
InChIKeyAFLAUICARDTRHB-KAHBWTBHSA-N
MW2874.34 g/mol
LogP31.79
Rot. Bonds36

About (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone

(2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 157098071) has the molecular formula C162H195F14N7O23 and a molecular weight of 2874.34 g/mol. Its IUPAC name is (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID157098071
Molecular FormulaC162H195F14N7O23
Molecular Weight2874.34 g/mol
Exact Mass2872.41
IUPAC Name(2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(NO)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1C2CC(C2)N1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CC2(CC2)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CCC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F)N1C[C@H](F)C[C@H]1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C28H31F8NO3.C28H34FNO4.C27H32FNO4.C27H34FNO4.C26H32F2N2O4.C26H32FNO4/c29-18-6-23(26(39,27(31,32)33)28(34,35)36)37(12-18)24(38)20-7-19(17-1-2-17)22(8-21(20)30)40-13-25-9-14-3-15(10-25)5-16(4-14)11-25;29-22-9-24(34-15-28-10-16-5-17(11-28)7-18(6-16)12-28)20(19-1-2-19)8-21(22)25(31)30-14-27(3-4-27)13-23(30)26(32)33;28-22-9-23(33-13-27-10-14-3-15(11-27)5-16(4-14)12-27)20(17-1-2-17)8-21(22)25(30)29-19-6-18(7-19)24(29)26(31)32;28-22-11-24(33-15-27-12-16-7-17(13-27)9-18(8-16)14-27)20(19-3-1-4-19)10-21(22)25(30)29-6-2-5-23(29)26(31)32;27-18-6-22(24(31)29-33)30(12-18)25(32)20-7-19(17-1-2-17)23(8-21(20)28)34-13-26-9-14-3-15(10-26)5-16(4-14)11-26;27-21-10-23(32-14-26-11-15-6-16(12-26)8-17(7-15)13-26)19(18-3-4-18)9-20(21)24(29)28-5-1-2-22(28)25(30)31/h7-8,14-18,23,39H,1-6,9-13H2;8-9,16-19,23H,1-7,10-15H2,(H,32,33);8-9,14-19,24H,1-7,10-13H2,(H,31,32);10-11,16-19,23H,1-9,12-15H2,(H,31,32);7-8,14-18,22,33H,1-6,9-13H2,(H,29,31);9-10,15-18,22H,1-8,11-14H2,(H,30,31)/t14?,15?,16?,18-,23+,25?;16?,17?,18?,23-,28?;14?,15?,16?,18?,19?,24-,27?;16?,17?,18?,23-,27?;14?,15?,16?,18-,22+,26?;15?,16?,17?,22-,26?/m100010/s1
InChIKeyAFLAUICARDTRHB-KAHBWTBHSA-N
XLogP31.79
TPSA396.00 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002874.34
LogP ≤ 531.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone (CID 157098071) is (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is O=C(NO)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1C2CC(C2)N1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CC2(CC2)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CCC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=C(c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F)N1C[C@H](F)C[C@H]1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AFLAUICARDTRHB-KAHBWTBHSA-N. The full InChI is InChI=1S/C28H31F8NO3.C28H34FNO4.C27H32FNO4.C27H34FNO4.C26H32F2N2O4.C26H32FNO4/c29-18-6-23(26(39,27(31,32)33)28(34,35)36)37(12-18)24(38)20-7-19(17-1-2-17)22(8-21(20)30)40-13-25-9-14-3-15(10-25)5-16(4-14)11-25;29-22-9-24(34-15-28-10-16-5-17(11-28)7-18(6-16)12-28)20(19-1-2-19)8-21(22)25(31)30-14-27(3-4-27)13-23(30)26(32)33;28-22-9-23(33-13-27-10-14-3-15(11-27)5-16(4-14)12-27)20(17-1-2-17)8-21(22)25(30)29-19-6-18(7-19)24(29)26(31)32;28-22-11-24(33-15-27-12-16-7-17(13-27)9-18(8-16)14-27)20(19-3-1-4-19)10-21(22)25(30)29-6-2-5-23(29)26(31)32;27-18-6-22(24(31)29-33)30(12-18)25(32)20-7-19(17-1-2-17)23(8-21(20)28)34-13-26-9-14-3-15(10-26)5-16(4-14)11-26;27-21-10-23(32-14-26-11-15-6-16(12-26)8-17(7-15)13-26)19(18-3-4-18)9-20(21)24(29)28-5-1-2-22(28)25(30)31/h7-8,14-18,23,39H,1-6,9-13H2;8-9,16-19,23H,1-7,10-15H2,(H,32,33);8-9,14-19,24H,1-7,10-13H2,(H,31,32);10-11,16-19,23H,1-9,12-15H2,(H,31,32);7-8,14-18,22,33H,1-6,9-13H2,(H,29,31);9-10,15-18,22H,1-8,11-14H2,(H,30,31)/t14?,15?,16?,18-,23+,25?;16?,17?,18?,23-,28?;14?,15?,16?,18?,19?,24-,27?;16?,17?,18?,23-,27?;14?,15?,16?,18-,22+,26?;15?,16?,17?,22-,26?/m100010/s1.
What are the key properties of (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone?
(2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 2874.34 g/mol, XLogP of 31.79, 36 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(1-adamantylmethoxy)-5-cyclobutyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(3S)-2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;(6S)-5-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-fluoro-N-hydroxypyrrolidine-2-carboxamide;(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[(2S,4R)-4-fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 157098071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).