methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride

C34H49ClN10O11 — CID 158353422

About methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride

methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride (PubChem CID 158353422) has the molecular formula C34H49ClN10O11 and a molecular weight of 809.28 g/mol. Its IUPAC name is methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride
• PubChem CID: 158353422
• Molecular Formula: C34H49ClN10O11
• Molecular Weight: 809.28 g/mol
• Exact Mass: 808.33
• IUPAC Name: methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride
• SMILES: COC(=O)c1cc(N)cn1C.COC(=O)c1cc(NC(=O)c2nc(NC(=O)OC(C)(C)C)cn2C)cn1C.Cl.Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)O
• InChI: InChI=1S/C17H23N5O5.C10H15N3O4.C7H10N2O2.ClH/c1-17(2,3)27-16(25)20-12-9-22(5)13(19-12)14(23)18-10-7-11(15(24)26-6)21(4)8-10;1-10(2,3)17-9(16)12-6-5-13(4)7(11-6)8(14)15;1-9-4-5(8)3-6(9)7(10)11-2;/h7-9H,1-6H3,(H,18,23)(H,20,25);5H,1-4H3,(H,12,16)(H,14,15);3-4H,8H2,1-2H3;1H
• InChIKey: WCZGTCNQKLMAPL-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 267.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.28
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride?

The IUPAC name of methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride (CID 158353422) is methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride.

What is the SMILES notation for methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride?

The canonical SMILES for methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride is COC(=O)c1cc(N)cn1C.COC(=O)c1cc(NC(=O)c2nc(NC(=O)OC(C)(C)C)cn2C)cn1C.Cl.Cn1cc(NC(=O)OC(C)(C)C)nc1C(=O)O.

What is the InChIKey of methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride?

The InChIKey is WCZGTCNQKLMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O5.C10H15N3O4.C7H10N2O2.ClH/c1-17(2,3)27-16(25)20-12-9-22(5)13(19-12)14(23)18-10-7-11(15(24)26-6)21(4)8-10;1-10(2,3)17-9(16)12-6-5-13(4)7(11-6)8(14)15;1-9-4-5(8)3-6(9)7(10)11-2;/h7-9H,1-6H3,(H,18,23)(H,20,25);5H,1-4H3,(H,12,16)(H,14,15);3-4H,8H2,1-2H3;1H.

What are the key properties of methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride?

methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride has a molecular weight of 809.28 g/mol, XLogP of 4.43, 7 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-amino-1-methylpyrrole-2-carboxylate;methyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 158353422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).