benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid

C81H99Cl2N25O28-2 — CID 159183331

IUPACbenzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1c[nH]c(C(=O)O)c1.CCOC(=O)c1nc([N+](=O)[O-])cn1C.CCOC(=O)c1nc([N-]Cl)cn1C.COC(=O)c1cc([N+](=O)[O-])c[nH]1.COC(=O)c1cc([N-]Cl)cn1C.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)On1nnc2ccccc21.Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)On1nnc2ccccc21
InChIInChI=1S/C17H19N5O4.C16H18N6O4.C11H16N2O4.C10H14N2O4.C7H9ClN3O2.C7H8ClN2O2.C7H9N3O4.C6H6N2O4/c1-17(2,3)25-16(24)18-11-9-14(21(4)10-11)15(23)26-22-13-8-6-5-7-12(13)19-20-22;1-16(2,3)25-15(24)18-12-9-21(4)13(17-12)14(23)26-22-11-8-6-5-7-10(11)19-20-22;1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7;1-10(2,3)16-9(15)12-6-4-7(8(13)14)11-5-6;1-3-13-7(12)6-9-5(10-8)4-11(6)2;1-10-4-5(9-8)3-6(10)7(11)12-2;1-3-14-7(11)6-8-5(10(12)13)4-9(6)2;1-12-6(9)5-2-4(3-7-5)8(10)11/h5-10H,1-4H3,(H,18,24);5-9H,1-4H3,(H,18,24);5-6H,1-4H3,(H,12,16)(H,14,15);4-5,11H,1-3H3,(H,12,15)(H,13,14);4H,3H2,1-2H3;3-4H,1-2H3;4H,3H2,1-2H3;2-3,7H,1H3/q;;;;2*-1;;
InChIKeyKNEFWLPZORDRQZ-UHFFFAOYSA-N
MW1941.74 g/mol
LogP13.24
Rot. Bonds20

About benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid

benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid (PubChem CID 159183331) has the molecular formula C81H99Cl2N25O28-2 and a molecular weight of 1941.74 g/mol. Its IUPAC name is benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Namebenzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid
PubChem CID159183331
Molecular FormulaC81H99Cl2N25O28-2
Molecular Weight1941.74 g/mol
Exact Mass1939.65
IUPAC Namebenzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1c[nH]c(C(=O)O)c1.CCOC(=O)c1nc([N+](=O)[O-])cn1C.CCOC(=O)c1nc([N-]Cl)cn1C.COC(=O)c1cc([N+](=O)[O-])c[nH]1.COC(=O)c1cc([N-]Cl)cn1C.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)On1nnc2ccccc21.Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)On1nnc2ccccc21
InChIInChI=1S/C17H19N5O4.C16H18N6O4.C11H16N2O4.C10H14N2O4.C7H9ClN3O2.C7H8ClN2O2.C7H9N3O4.C6H6N2O4/c1-17(2,3)25-16(24)18-11-9-14(21(4)10-11)15(23)26-22-13-8-6-5-7-12(13)19-20-22;1-16(2,3)25-15(24)18-12-9-21(4)13(17-12)14(23)26-22-11-8-6-5-7-10(11)19-20-22;1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7;1-10(2,3)16-9(15)12-6-4-7(8(13)14)11-5-6;1-3-13-7(12)6-9-5(10-8)4-11(6)2;1-10-4-5(9-8)3-6(10)7(11)12-2;1-3-14-7(11)6-8-5(10(12)13)4-9(6)2;1-12-6(9)5-2-4(3-7-5)8(10)11/h5-10H,1-4H3,(H,18,24);5-9H,1-4H3,(H,18,24);5-6H,1-4H3,(H,12,16)(H,14,15);4-5,11H,1-3H3,(H,12,15)(H,13,14);4H,3H2,1-2H3;3-4H,1-2H3;4H,3H2,1-2H3;2-3,7H,1H3/q;;;;2*-1;;
InChIKeyKNEFWLPZORDRQZ-UHFFFAOYSA-N
XLogP13.24
TPSA661.45 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001941.74
LogP ≤ 513.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid with MolForge

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Related Compounds

4-acetamido-N-[5-[[5-[(E)-3-imidazol-1-yl-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;benzotriazol-1-yl 4-acetamido-1-methylpyrrole-2-carboxylate;ethyl (E)-3-[4-[[4-[(4-acetamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrol-2-yl]prop-2-enoate;ethyl (E)-3-[4-[[4-(hydroperoxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrol-2-yl]prop-2-enoate
CID 91499937
tert-butyl N-[5-[(5-acetyl-1-methylpyrrol-3-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamate;tert-butyl N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamate;3-chloro-1-oxido-1,2,4-benzotriazin-1-ium;N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[4-[(1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-yl)amino]butanoylamino]-1-methylpyrrole-2-carboxamide;methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 4-[(4-methyl-1-oxo-1,2,4-benzotriazin-1-ium-3-yl)amino]butanoate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
CID 158622403
acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid
CID 158818204
Benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;(2-methoxycarbonyl-1-methylimidazol-4-yl)azanium;(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanium;methyl 1-methyl-4-nitroimidazole-2-carboxylate;methyl 1-methyl-4-nitropyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;dichloride
CID 159061714
(5-acetyl-1-methylpyrrol-3-yl)azanium;1-(5-amino-3-methyl-1H-imidazol-3-ium-2-yl)ethanone;benzotriazol-1-yl 1,4-dimethylpyrrole-2-carboxylate;1,4-dimethylimidazole-2-carboxylic acid;1,4-dimethylpyrrole-2-carboxylic acid;1-(1-methyl-4-nitroimidazol-2-yl)ethanone;1-(1-methyl-4-nitropyrrol-2-yl)ethanone;dichloride
CID 159683499
Methyl 4-[(4-imino-1-methylimidazol-1-ium-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;1-methyl-4-(methylamino)pyrrole-2-carboxylic acid;methyl 1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 159718827
4-[[4-(Tert-butylperoxyamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxylic acid;methyl 1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate;methyl 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxylate
CID 160766634
(2-Acetyl-1-methylimidazol-4-yl)-chloroazanide;(5-acetyl-1-methylpyrrol-3-yl)-chloroazanide;benzotriazol-1-yl 1,4-dimethylimidazole-2-carboxylate;benzotriazol-1-yl 1,4-dimethylpyrrole-2-carboxylate;bis(1,4-dimethylpyrrole-2-carboxylic acid);1-(1-methyl-4-nitroimidazol-2-yl)ethanone;1-(1-methyl-4-nitropyrrol-2-yl)ethanone
CID 161126619
Methyl 1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid
CID 161515002
Methyl 1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylic acid
CID 161655098
Chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
CID 162104494

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid (CID 159183331) is benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid is CC(C)(C)OC(=O)Nc1c[nH]c(C(=O)O)c1.CCOC(=O)c1nc([N+](=O)[O-])cn1C.CCOC(=O)c1nc([N-]Cl)cn1C.COC(=O)c1cc([N+](=O)[O-])c[nH]1.COC(=O)c1cc([N-]Cl)cn1C.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)On1nnc2ccccc21.Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)On1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid?
The InChIKey is KNEFWLPZORDRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4.C16H18N6O4.C11H16N2O4.C10H14N2O4.C7H9ClN3O2.C7H8ClN2O2.C7H9N3O4.C6H6N2O4/c1-17(2,3)25-16(24)18-11-9-14(21(4)10-11)15(23)26-22-13-8-6-5-7-12(13)19-20-22;1-16(2,3)25-15(24)18-12-9-21(4)13(17-12)14(23)26-22-11-8-6-5-7-10(11)19-20-22;1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7;1-10(2,3)16-9(15)12-6-4-7(8(13)14)11-5-6;1-3-13-7(12)6-9-5(10-8)4-11(6)2;1-10-4-5(9-8)3-6(10)7(11)12-2;1-3-14-7(11)6-8-5(10(12)13)4-9(6)2;1-12-6(9)5-2-4(3-7-5)8(10)11/h5-10H,1-4H3,(H,18,24);5-9H,1-4H3,(H,18,24);5-6H,1-4H3,(H,12,16)(H,14,15);4-5,11H,1-3H3,(H,12,15)(H,13,14);4H,3H2,1-2H3;3-4H,1-2H3;4H,3H2,1-2H3;2-3,7H,1H3/q;;;;2*-1;;.
What are the key properties of benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid?
benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid has a molecular weight of 1941.74 g/mol, XLogP of 13.24, 20 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate;benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate;chloro-(2-ethoxycarbonyl-1-methylimidazol-4-yl)azanide;chloro-(5-methoxycarbonyl-1-methylpyrrol-3-yl)azanide;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid;methyl 4-nitro-1H-pyrrole-2-carboxylate;4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 159183331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).