lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

C34H38LaN8O6-2 — CID 140553372

About lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (PubChem CID 140553372) has the molecular formula C34H38LaN8O6-2 and a molecular weight of 793.63 g/mol. Its IUPAC name is lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

• Compound Name: lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
• PubChem CID: 140553372
• Molecular Formula: C34H38LaN8O6-2
• Molecular Weight: 793.63 g/mol
• Exact Mass: 793.20
• IUPAC Name: lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
• SMILES: COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1n[c-]c[nH]1)c1ccccc1.COO/C=N/[C@@H](C(=O)N1CCC[C@H]1c1n[c-]c[nH]1)c1ccccc1.[La]
• InChI: InChI=1S/2C17H19N4O3.La/c1-23-24-12-20-15(13-6-3-2-4-7-13)17(22)21-11-5-8-14(21)16-18-9-10-19-16;1-24-17(23)20-14(12-6-3-2-4-7-12)16(22)21-11-5-8-13(21)15-18-9-10-19-15;/h2-4,6-7,9,12,14-15H,5,8,11H2,1H3,(H,18,19);2-4,6-7,9,13-14H,5,8,11H2,1H3,(H,18,19)(H,20,23);/q2*-1;/b20-12+;;/t14-,15+;13-,14+;/m00./s1
• InChIKey: IMARDGQDKLTTLN-LFWMTUEDSA-N
• XLogP: 4.19
• TPSA: 167.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	793.63
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The IUPAC name of lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (CID 140553372) is lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.

What is the SMILES notation for lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The canonical SMILES for lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1n[c-]c[nH]1)c1ccccc1.COO/C=N/[C@@H](C(=O)N1CCC[C@H]1c1n[c-]c[nH]1)c1ccccc1.[La].

What is the InChIKey of lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The InChIKey is IMARDGQDKLTTLN-LFWMTUEDSA-N. The full InChI is InChI=1S/2C17H19N4O3.La/c1-23-24-12-20-15(13-6-3-2-4-7-13)17(22)21-11-5-8-14(21)16-18-9-10-19-16;1-24-17(23)20-14(12-6-3-2-4-7-12)16(22)21-11-5-8-13(21)15-18-9-10-19-15;/h2-4,6-7,9,12,14-15H,5,8,11H2,1H3,(H,18,19);2-4,6-7,9,13-14H,5,8,11H2,1H3,(H,18,19)(H,20,23);/q2*-1;/b20-12+;;/t14-,15+;13-,14+;/m00./s1.

What are the key properties of lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 793.63 g/mol, XLogP of 4.19, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for lanthanum;methoxy N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanimidate;methyl N-[(1R)-2-[(2S)-2-(1,4-dihydroimidazol-4-id-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 140553372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).