(2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid

C137H154N28O37 — CID 172924297

IUPAC(2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
SMILESCN(C)CCNC(=O)OC[C@]1(C)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.CN1CCN(C(=O)OC[C@]2(C)CC3/C(=C\c4ccccn4)C(=O)N3[C@H]2C(=O)O)CC1.CO/N=C/[C@]1(C)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(/C=N/O)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(C(=O)O)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(C=O)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(COC(=O)NCCN=C(N)N)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(COC(=O)NN)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O
InChIInChI=1S/C21H26N4O5.C20H26N4O5.C19H24N6O5.C16H18N4O5.C16H17N3O4.C15H15N3O4.C15H14N2O5.C15H14N2O4/c1-21(13-30-20(29)24-9-7-23(2)8-10-24)12-16-15(11-14-5-3-4-6-22-14)18(26)25(16)17(21)19(27)28;1-20(12-29-19(28)22-8-9-23(2)3)11-15-14(10-13-6-4-5-7-21-13)17(25)24(15)16(20)18(26)27;1-19(10-30-18(29)24-7-6-23-17(20)21)9-13-12(8-11-4-2-3-5-22-11)15(26)25(13)14(19)16(27)28;1-16(8-25-15(24)19-17)7-11-10(6-9-4-2-3-5-18-9)13(21)20(11)12(16)14(22)23;1-16(9-18-23-2)8-12-11(7-10-5-3-4-6-17-10)14(20)19(12)13(16)15(21)22;1-15(8-17-22)7-11-10(6-9-4-2-3-5-16-9)13(19)18(11)12(15)14(20)21;1-15(14(21)22)7-10-9(6-8-4-2-3-5-16-8)12(18)17(10)11(15)13(19)20;1-15(8-18)7-11-10(6-9-4-2-3-5-16-9)13(19)17(11)12(15)14(20)21/h3-6,11,16-17H,7-10,12-13H2,1-2H3,(H,27,28);4-7,10,15-16H,8-9,11-12H2,1-3H3,(H,22,28)(H,26,27);2-5,8,13-14H,6-7,9-10H2,1H3,(H,24,29)(H,27,28)(H4,20,21,23);2-6,11-12H,7-8,17H2,1H3,(H,19,24)(H,22,23);3-7,9,12-13H,8H2,1-2H3,(H,21,22);2-6,8,11-12,22H,7H2,1H3,(H,20,21);2-6,10-11H,7H2,1H3,(H,19,20)(H,21,22);2-6,8,11-12H,7H2,1H3,(H,20,21)/b15-11+;14-10+;12-8+;10-6+;11-7+,18-9+;10-6+,17-8+;9-6+;10-6+/t16?,17-,21-;15?,16-,20-;13?,14-,19-;11?,12-,16-;12?,13-,16-;11?,12-,15-;10?,11-,15+;11?,12-,15-/m00000000/s1
InChIKeyRCSSXCCEJBNJHG-VKPUGWSZSA-N
MW2784.90 g/mol
LogP4.96
Rot. Bonds35

About (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid

(2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid (PubChem CID 172924297) has the molecular formula C137H154N28O37 and a molecular weight of 2784.90 g/mol. Its IUPAC name is (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
PubChem CID172924297
Molecular FormulaC137H154N28O37
Molecular Weight2784.90 g/mol
Exact Mass2783.10
IUPAC Name(2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
SMILESCN(C)CCNC(=O)OC[C@]1(C)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.CN1CCN(C(=O)OC[C@]2(C)CC3/C(=C\c4ccccn4)C(=O)N3[C@H]2C(=O)O)CC1.CO/N=C/[C@]1(C)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(/C=N/O)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(C(=O)O)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(C=O)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(COC(=O)NCCN=C(N)N)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(COC(=O)NN)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O
InChIInChI=1S/C21H26N4O5.C20H26N4O5.C19H24N6O5.C16H18N4O5.C16H17N3O4.C15H15N3O4.C15H14N2O5.C15H14N2O4/c1-21(13-30-20(29)24-9-7-23(2)8-10-24)12-16-15(11-14-5-3-4-6-22-14)18(26)25(16)17(21)19(27)28;1-20(12-29-19(28)22-8-9-23(2)3)11-15-14(10-13-6-4-5-7-21-13)17(25)24(15)16(20)18(26)27;1-19(10-30-18(29)24-7-6-23-17(20)21)9-13-12(8-11-4-2-3-5-22-11)15(26)25(13)14(19)16(27)28;1-16(8-25-15(24)19-17)7-11-10(6-9-4-2-3-5-18-9)13(21)20(11)12(16)14(22)23;1-16(9-18-23-2)8-12-11(7-10-5-3-4-6-17-10)14(20)19(12)13(16)15(21)22;1-15(8-17-22)7-11-10(6-9-4-2-3-5-16-9)13(19)18(11)12(15)14(20)21;1-15(14(21)22)7-10-9(6-8-4-2-3-5-16-8)12(18)17(10)11(15)13(19)20;1-15(8-18)7-11-10(6-9-4-2-3-5-16-9)13(19)17(11)12(15)14(20)21/h3-6,11,16-17H,7-10,12-13H2,1-2H3,(H,27,28);4-7,10,15-16H,8-9,11-12H2,1-3H3,(H,22,28)(H,26,27);2-5,8,13-14H,6-7,9-10H2,1H3,(H,24,29)(H,27,28)(H4,20,21,23);2-6,11-12H,7-8,17H2,1H3,(H,19,24)(H,22,23);3-7,9,12-13H,8H2,1-2H3,(H,21,22);2-6,8,11-12,22H,7H2,1H3,(H,20,21);2-6,10-11H,7H2,1H3,(H,19,20)(H,21,22);2-6,8,11-12H,7H2,1H3,(H,20,21)/b15-11+;14-10+;12-8+;10-6+;11-7+,18-9+;10-6+,17-8+;9-6+;10-6+/t16?,17-,21-;15?,16-,20-;13?,14-,19-;11?,12-,16-;12?,13-,16-;11?,12-,15-;10?,11-,15+;11?,12-,15-/m00000000/s1
InChIKeyRCSSXCCEJBNJHG-VKPUGWSZSA-N
XLogP4.96
TPSA913.98 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds35
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002784.90
LogP ≤ 54.96
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid with MolForge

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Related Compounds

(2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 160588755
benzhydryl (2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 158951254
(2S,3R,5R)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-4,4,7-trioxo-6-(pyridin-2-ylmethylidene)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 90892199
(2S,3R,5R)-3-methyl-4,4,7-trioxo-6-(pyridin-2-ylmethylidene)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
CID 91481711
(2S,3R,5R)-3-[(2-amino-1,3-thiazol-4-yl)methylcarbamoyloxymethyl]-3-methyl-4,4,7-trioxo-6-(pyridin-2-ylmethylidene)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 90765365
(2S,3R,5R,6Z)-3-formyl-3-methyl-4,4,7-trioxo-6-(pyridin-2-ylmethylidene)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 44624985
(2R,3R,6E)-6-[[4-(2-aminoethylcarbamoyl)-2-pyridinyl]methylidene]-3-(2-azaniumylethylcarbamoyloxymethyl)-3-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate;benzhydryl (2R,3R,6E)-3-methyl-7-oxo-3-[[4-oxo-4-[2-(4-phenylphenyl)propan-2-yloxy]butyl]carbamoyloxymethyl]-6-[[4-[2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]ethylcarbamoyl]-2-pyridinyl]methylidene]-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 161114971
(2S,3R,5R,6Z)-3-methyl-7-oxo-3-[(2-phenylacetyl)oxymethyl]-6-(pyridin-2-ylmethylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 10456211
1-hept-6-enyl-1,2-dimethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 109483879
ethyl 4-[[N'-methyl-N-[2-(N-methylanilino)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329164
N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide
CID 102056903
ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160189

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
The IUPAC name of (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid (CID 172924297) is (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
The canonical SMILES for (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid is CN(C)CCNC(=O)OC[C@]1(C)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.CN1CCN(C(=O)OC[C@]2(C)CC3/C(=C\c4ccccn4)C(=O)N3[C@H]2C(=O)O)CC1.CO/N=C/[C@]1(C)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(/C=N/O)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(C(=O)O)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(C=O)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(COC(=O)NCCN=C(N)N)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.C[C@@]1(COC(=O)NN)CC2/C(=C\c3ccccn3)C(=O)N2[C@H]1C(=O)O.
What is the InChIKey of (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
The InChIKey is RCSSXCCEJBNJHG-VKPUGWSZSA-N. The full InChI is InChI=1S/C21H26N4O5.C20H26N4O5.C19H24N6O5.C16H18N4O5.C16H17N3O4.C15H15N3O4.C15H14N2O5.C15H14N2O4/c1-21(13-30-20(29)24-9-7-23(2)8-10-24)12-16-15(11-14-5-3-4-6-22-14)18(26)25(16)17(21)19(27)28;1-20(12-29-19(28)22-8-9-23(2)3)11-15-14(10-13-6-4-5-7-21-13)17(25)24(15)16(20)18(26)27;1-19(10-30-18(29)24-7-6-23-17(20)21)9-13-12(8-11-4-2-3-5-22-11)15(26)25(13)14(19)16(27)28;1-16(8-25-15(24)19-17)7-11-10(6-9-4-2-3-5-18-9)13(21)20(11)12(16)14(22)23;1-16(9-18-23-2)8-12-11(7-10-5-3-4-6-17-10)14(20)19(12)13(16)15(21)22;1-15(8-17-22)7-11-10(6-9-4-2-3-5-16-9)13(19)18(11)12(15)14(20)21;1-15(14(21)22)7-10-9(6-8-4-2-3-5-16-8)12(18)17(10)11(15)13(19)20;1-15(8-18)7-11-10(6-9-4-2-3-5-16-9)13(19)17(11)12(15)14(20)21/h3-6,11,16-17H,7-10,12-13H2,1-2H3,(H,27,28);4-7,10,15-16H,8-9,11-12H2,1-3H3,(H,22,28)(H,26,27);2-5,8,13-14H,6-7,9-10H2,1H3,(H,24,29)(H,27,28)(H4,20,21,23);2-6,11-12H,7-8,17H2,1H3,(H,19,24)(H,22,23);3-7,9,12-13H,8H2,1-2H3,(H,21,22);2-6,8,11-12,22H,7H2,1H3,(H,20,21);2-6,10-11H,7H2,1H3,(H,19,20)(H,21,22);2-6,8,11-12H,7H2,1H3,(H,20,21)/b15-11+;14-10+;12-8+;10-6+;11-7+,18-9+;10-6+,17-8+;9-6+;10-6+/t16?,17-,21-;15?,16-,20-;13?,14-,19-;11?,12-,16-;12?,13-,16-;11?,12-,15-;10?,11-,15+;11?,12-,15-/m00000000/s1.
What are the key properties of (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
(2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid has a molecular weight of 2784.90 g/mol, XLogP of 4.96, 35 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6E)-3-[2-(diaminomethylideneamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[2-(dimethylamino)ethylcarbamoyloxymethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-formyl-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-(hydrazinecarbonyloxymethyl)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-hydroxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-[(E)-methoxyiminomethyl]-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-3-[(4-methylpiperazine-1-carbonyl)oxymethyl]-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3R,6E)-3-methyl-7-oxo-6-(pyridin-2-ylmethylidene)-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 172924297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).