[1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid

C117H169B6ClF10N14O25S — CID 161455488

IUPAC[1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid
SMILESCC(C)CC(NC(=O)C(CC(=O)C1CCN1c1nc(C(F)(F)F)cs1)CC1CC1)B(O)O.CC(C)CC(NC(=O)C(COC(F)F)CC(=O)C1CCN1c1ccc(F)cc1)B(O)O.CC(C)CC(NC(=O)CCC(=O)C1CCN1c1cc(F)ccc1F)B(O)O.CC(C)CC(NC(=O)CCC(=O)C1CCN1c1ccc(F)cc1F)B(O)O.Cc1ccc(N2CCC2C(=O)CC(CC2CC2)C(=O)NC(CC(C)C)B(O)O)nc1.Cc1ccc(N2CCC2C(=O)CCC(=O)NC(CC(C)C)B(O)O)c(Cl)c1
InChIInChI=1S/C22H34BN3O4.C20H29BF3N3O4S.C20H28BF3N2O5.C19H28BClN2O4.2C18H25BF2N2O4/c1-14(2)10-20(23(29)30)25-22(28)17(11-16-5-6-16)12-19(27)18-8-9-26(18)21-7-4-15(3)13-24-21;1-11(2)7-17(21(30)31)26-18(29)13(8-12-3-4-12)9-15(28)14-5-6-27(14)19-25-16(10-32-19)20(22,23)24;1-12(2)9-18(21(29)30)25-19(28)13(11-31-20(23)24)10-17(27)16-7-8-26(16)15-5-3-14(22)4-6-15;1-12(2)10-18(20(26)27)22-19(25)7-6-17(24)16-8-9-23(16)15-5-4-13(3)11-14(15)21;1-11(2)9-17(19(26)27)22-18(25)6-5-16(24)15-7-8-23(15)14-4-3-12(20)10-13(14)21;1-11(2)9-17(19(26)27)22-18(25)6-5-16(24)14-7-8-23(14)15-10-12(20)3-4-13(15)21/h4,7,13-14,16-18,20,29-30H,5-6,8-12H2,1-3H3,(H,25,28);10-14,17,30-31H,3-9H2,1-2H3,(H,26,29);3-6,12-13,16,18,20,29-30H,7-11H2,1-2H3,(H,25,28);4-5,11-12,16,18,26-27H,6-10H2,1-3H3,(H,22,25);3-4,10-11,15,17,26-27H,5-9H2,1-2H3,(H,22,25);3-4,10-11,14,17,26-27H,5-9H2,1-2H3,(H,22,25)
InChIKeyWBCGENNUFIVBSP-UHFFFAOYSA-N
MW2494.08 g/mol
LogP11.30
Rot. Bonds61

About [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid

[1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid (PubChem CID 161455488) has the molecular formula C117H169B6ClF10N14O25S and a molecular weight of 2494.08 g/mol. Its IUPAC name is [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid.

Molecular Properties

Compound Name[1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid
PubChem CID161455488
Molecular FormulaC117H169B6ClF10N14O25S
Molecular Weight2494.08 g/mol
Exact Mass2493.22
IUPAC Name[1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid
SMILESCC(C)CC(NC(=O)C(CC(=O)C1CCN1c1nc(C(F)(F)F)cs1)CC1CC1)B(O)O.CC(C)CC(NC(=O)C(COC(F)F)CC(=O)C1CCN1c1ccc(F)cc1)B(O)O.CC(C)CC(NC(=O)CCC(=O)C1CCN1c1cc(F)ccc1F)B(O)O.CC(C)CC(NC(=O)CCC(=O)C1CCN1c1ccc(F)cc1F)B(O)O.Cc1ccc(N2CCC2C(=O)CC(CC2CC2)C(=O)NC(CC(C)C)B(O)O)nc1.Cc1ccc(N2CCC2C(=O)CCC(=O)NC(CC(C)C)B(O)O)c(Cl)c1
InChIInChI=1S/C22H34BN3O4.C20H29BF3N3O4S.C20H28BF3N2O5.C19H28BClN2O4.2C18H25BF2N2O4/c1-14(2)10-20(23(29)30)25-22(28)17(11-16-5-6-16)12-19(27)18-8-9-26(18)21-7-4-15(3)13-24-21;1-11(2)7-17(21(30)31)26-18(29)13(8-12-3-4-12)9-15(28)14-5-6-27(14)19-25-16(10-32-19)20(22,23)24;1-12(2)9-18(21(29)30)25-19(28)13(11-31-20(23)24)10-17(27)16-7-8-26(16)15-5-3-14(22)4-6-15;1-12(2)10-18(20(26)27)22-19(25)7-6-17(24)16-8-9-23(16)15-5-4-13(3)11-14(15)21;1-11(2)9-17(19(26)27)22-18(25)6-5-16(24)15-7-8-23(15)14-4-3-12(20)10-13(14)21;1-11(2)9-17(19(26)27)22-18(25)6-5-16(24)14-7-8-23(14)15-10-12(20)3-4-13(15)21/h4,7,13-14,16-18,20,29-30H,5-6,8-12H2,1-3H3,(H,25,28);10-14,17,30-31H,3-9H2,1-2H3,(H,26,29);3-6,12-13,16,18,20,29-30H,7-11H2,1-2H3,(H,25,28);4-5,11-12,16,18,26-27H,6-10H2,1-3H3,(H,22,25);3-4,10-11,15,17,26-27H,5-9H2,1-2H3,(H,22,25);3-4,10-11,14,17,26-27H,5-9H2,1-2H3,(H,22,25)
InChIKeyWBCGENNUFIVBSP-UHFFFAOYSA-N
XLogP11.30
TPSA574.23 Ų
H-Bond Donors18
H-Bond Acceptors34
Rotatable Bonds61
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002494.08
LogP ≤ 511.30
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid?
The IUPAC name of [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid (CID 161455488) is [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid.
What is the SMILES notation for [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid?
The canonical SMILES for [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid is CC(C)CC(NC(=O)C(CC(=O)C1CCN1c1nc(C(F)(F)F)cs1)CC1CC1)B(O)O.CC(C)CC(NC(=O)C(COC(F)F)CC(=O)C1CCN1c1ccc(F)cc1)B(O)O.CC(C)CC(NC(=O)CCC(=O)C1CCN1c1cc(F)ccc1F)B(O)O.CC(C)CC(NC(=O)CCC(=O)C1CCN1c1ccc(F)cc1F)B(O)O.Cc1ccc(N2CCC2C(=O)CC(CC2CC2)C(=O)NC(CC(C)C)B(O)O)nc1.Cc1ccc(N2CCC2C(=O)CCC(=O)NC(CC(C)C)B(O)O)c(Cl)c1.
What is the InChIKey of [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid?
The InChIKey is WBCGENNUFIVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34BN3O4.C20H29BF3N3O4S.C20H28BF3N2O5.C19H28BClN2O4.2C18H25BF2N2O4/c1-14(2)10-20(23(29)30)25-22(28)17(11-16-5-6-16)12-19(27)18-8-9-26(18)21-7-4-15(3)13-24-21;1-11(2)7-17(21(30)31)26-18(29)13(8-12-3-4-12)9-15(28)14-5-6-27(14)19-25-16(10-32-19)20(22,23)24;1-12(2)9-18(21(29)30)25-19(28)13(11-31-20(23)24)10-17(27)16-7-8-26(16)15-5-3-14(22)4-6-15;1-12(2)10-18(20(26)27)22-19(25)7-6-17(24)16-8-9-23(16)15-5-4-13(3)11-14(15)21;1-11(2)9-17(19(26)27)22-18(25)6-5-16(24)15-7-8-23(15)14-4-3-12(20)10-13(14)21;1-11(2)9-17(19(26)27)22-18(25)6-5-16(24)14-7-8-23(14)15-10-12(20)3-4-13(15)21/h4,7,13-14,16-18,20,29-30H,5-6,8-12H2,1-3H3,(H,25,28);10-14,17,30-31H,3-9H2,1-2H3,(H,26,29);3-6,12-13,16,18,20,29-30H,7-11H2,1-2H3,(H,25,28);4-5,11-12,16,18,26-27H,6-10H2,1-3H3,(H,22,25);3-4,10-11,15,17,26-27H,5-9H2,1-2H3,(H,22,25);3-4,10-11,14,17,26-27H,5-9H2,1-2H3,(H,22,25).
What are the key properties of [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid?
[1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid has a molecular weight of 2494.08 g/mol, XLogP of 11.30, 61 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[1-(2-chloro-4-methylphenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-[1-(5-methyl-2-pyridinyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(cyclopropylmethyl)-4-oxo-4-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-2-yl]butanoyl]amino]-3-methylbutyl]boronic acid;[1-[[2-(difluoromethoxymethyl)-4-[1-(4-fluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,4-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid;[1-[[4-[1-(2,5-difluorophenyl)azetidin-2-yl]-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid is sourced from PubChem (CID 161455488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).