(2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

C122H158F13N17O25 — CID 159588803

IUPAC(2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESC[C@](O)(C(=O)NCC1CCC(c2ccccc2OC(F)(F)F)CC1)[C@@H](O)C(=O)N1Cc2cccnc2C1.NCC1[C@H]2CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCC3CCN(c4ccccc4OC(F)(F)F)CC3)C[C@@H]12.O=C(NCC1CCN(c2cccc(F)c2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccncc2C1.O=C(NCC1CCN(c2ccccc2OCCC2CCCCC2)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/C28H43N3O5.C26H30F3N3O5.C24H27F3N4O5.C23H31F3N4O5.C21H27F4N3O5/c32-25(26(33)28(35)31-15-6-7-16-31)27(34)29-20-22-12-17-30(18-13-22)23-10-4-5-11-24(23)36-19-14-21-8-2-1-3-9-21;1-25(36,22(33)23(34)32-14-18-5-4-12-30-20(18)15-32)24(35)31-13-16-8-10-17(11-9-16)19-6-2-3-7-21(19)37-26(27,28)29;25-24(26,27)36-19-4-2-1-3-18(19)30-9-6-15(7-10-30)11-29-22(34)20(32)21(33)23(35)31-13-16-5-8-28-12-17(16)14-31;24-23(25,26)35-18-4-2-1-3-17(18)29-7-5-13(6-8-29)10-28-21(33)19(31)20(32)22(34)30-11-15-14(9-27)16(15)12-30;22-14-4-3-5-15(18(14)33-21(23,24)25)27-10-6-13(7-11-27)12-26-19(31)16(29)17(30)20(32)28-8-1-2-9-28/h4-5,10-11,21-22,25-26,32-33H,1-3,6-9,12-20H2,(H,29,34);2-7,12,16-17,22,33,36H,8-11,13-15H2,1H3,(H,31,35);1-5,8,12,15,20-21,32-33H,6-7,9-11,13-14H2,(H,29,34);1-4,13-16,19-20,31-32H,5-12,27H2,(H,28,33);3-5,13,16-17,29-30H,1-2,6-12H2,(H,26,31)/t25-,26-;16?,17?,22-,25+;20-,21-;14?,15-,16+,19-,20-;16-,17-/m10111/s1
InChIKeyMJYXBJRBZWMWGF-IDJXUHKWSA-N
MW2509.67 g/mol
LogP9.02
Rot. Bonds39

About (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

(2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 159588803) has the molecular formula C122H158F13N17O25 and a molecular weight of 2509.67 g/mol. Its IUPAC name is (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID159588803
Molecular FormulaC122H158F13N17O25
Molecular Weight2509.67 g/mol
Exact Mass2508.14
IUPAC Name(2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESC[C@](O)(C(=O)NCC1CCC(c2ccccc2OC(F)(F)F)CC1)[C@@H](O)C(=O)N1Cc2cccnc2C1.NCC1[C@H]2CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCC3CCN(c4ccccc4OC(F)(F)F)CC3)C[C@@H]12.O=C(NCC1CCN(c2cccc(F)c2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccncc2C1.O=C(NCC1CCN(c2ccccc2OCCC2CCCCC2)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/C28H43N3O5.C26H30F3N3O5.C24H27F3N4O5.C23H31F3N4O5.C21H27F4N3O5/c32-25(26(33)28(35)31-15-6-7-16-31)27(34)29-20-22-12-17-30(18-13-22)23-10-4-5-11-24(23)36-19-14-21-8-2-1-3-9-21;1-25(36,22(33)23(34)32-14-18-5-4-12-30-20(18)15-32)24(35)31-13-16-8-10-17(11-9-16)19-6-2-3-7-21(19)37-26(27,28)29;25-24(26,27)36-19-4-2-1-3-18(19)30-9-6-15(7-10-30)11-29-22(34)20(32)21(33)23(35)31-13-16-5-8-28-12-17(16)14-31;24-23(25,26)35-18-4-2-1-3-17(18)29-7-5-13(6-8-29)10-28-21(33)19(31)20(32)22(34)30-11-15-14(9-27)16(15)12-30;22-14-4-3-5-15(18(14)33-21(23,24)25)27-10-6-13(7-11-27)12-26-19(31)16(29)17(30)20(32)28-8-1-2-9-28/h4-5,10-11,21-22,25-26,32-33H,1-3,6-9,12-20H2,(H,29,34);2-7,12,16-17,22,33,36H,8-11,13-15H2,1H3,(H,31,35);1-5,8,12,15,20-21,32-33H,6-7,9-11,13-14H2,(H,29,34);1-4,13-16,19-20,31-32H,5-12,27H2,(H,28,33);3-5,13,16-17,29-30H,1-2,6-12H2,(H,26,31)/t25-,26-;16?,17?,22-,25+;20-,21-;14?,15-,16+,19-,20-;16-,17-/m10111/s1
InChIKeyMJYXBJRBZWMWGF-IDJXUHKWSA-N
XLogP9.02
TPSA560.26 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms177
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002509.67
LogP ≤ 59.02
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Analyze (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 159588803) is (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is C[C@](O)(C(=O)NCC1CCC(c2ccccc2OC(F)(F)F)CC1)[C@@H](O)C(=O)N1Cc2cccnc2C1.NCC1[C@H]2CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCC3CCN(c4ccccc4OC(F)(F)F)CC3)C[C@@H]12.O=C(NCC1CCN(c2cccc(F)c2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccncc2C1.O=C(NCC1CCN(c2ccccc2OCCC2CCCCC2)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.
What is the InChIKey of (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is MJYXBJRBZWMWGF-IDJXUHKWSA-N. The full InChI is InChI=1S/C28H43N3O5.C26H30F3N3O5.C24H27F3N4O5.C23H31F3N4O5.C21H27F4N3O5/c32-25(26(33)28(35)31-15-6-7-16-31)27(34)29-20-22-12-17-30(18-13-22)23-10-4-5-11-24(23)36-19-14-21-8-2-1-3-9-21;1-25(36,22(33)23(34)32-14-18-5-4-12-30-20(18)15-32)24(35)31-13-16-8-10-17(11-9-16)19-6-2-3-7-21(19)37-26(27,28)29;25-24(26,27)36-19-4-2-1-3-18(19)30-9-6-15(7-10-30)11-29-22(34)20(32)21(33)23(35)31-13-16-5-8-28-12-17(16)14-31;24-23(25,26)35-18-4-2-1-3-17(18)29-7-5-13(6-8-29)10-28-21(33)19(31)20(32)22(34)30-11-15-14(9-27)16(15)12-30;22-14-4-3-5-15(18(14)33-21(23,24)25)27-10-6-13(7-11-27)12-26-19(31)16(29)17(30)20(32)28-8-1-2-9-28/h4-5,10-11,21-22,25-26,32-33H,1-3,6-9,12-20H2,(H,29,34);2-7,12,16-17,22,33,36H,8-11,13-15H2,1H3,(H,31,35);1-5,8,12,15,20-21,32-33H,6-7,9-11,13-14H2,(H,29,34);1-4,13-16,19-20,31-32H,5-12,27H2,(H,28,33);3-5,13,16-17,29-30H,1-2,6-12H2,(H,26,31)/t25-,26-;16?,17?,22-,25+;20-,21-;14?,15-,16+,19-,20-;16-,17-/m10111/s1.
What are the key properties of (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
(2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 2509.67 g/mol, XLogP of 9.02, 39 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 159588803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).