[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium

C25H29N7O5Y-2 — CID 153402558

About [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium

[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium (PubChem CID 153402558) has the molecular formula C25H29N7O5Y-2 and a molecular weight of 596.46 g/mol. Its IUPAC name is [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium.

Molecular Properties

• Compound Name: [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium
• PubChem CID: 153402558
• Molecular Formula: C25H29N7O5Y-2
• Molecular Weight: 596.46 g/mol
• Exact Mass: 596.13
• IUPAC Name: [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium
• SMILES: CCOC(=O)C(C[NH-])NC(=O)c1[nH]c2ccccc2c1O.[H]/N=C(\N)c1ccc(N2CCC([NH-])C2=O)cc1.[Y]
• InChI: InChI=1S/C14H16N3O4.C11H13N4O.Y/c1-2-21-14(20)10(7-15)17-13(19)11-12(18)8-5-3-4-6-9(8)16-11;12-9-5-6-15(11(9)16)8-3-1-7(2-4-8)10(13)14;/h3-6,10,15-16,18H,2,7H2,1H3,(H,17,19);1-4,9,12H,5-6H2,(H3,13,14);/q2*-1
• InChIKey: IDEZPQPCIPNWSV-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 209.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.46
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium?

The IUPAC name of [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium (CID 153402558) is [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium.

What is the SMILES notation for [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium?

The canonical SMILES for [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium is CCOC(=O)C(C[NH-])NC(=O)c1[nH]c2ccccc2c1O.[H]/N=C(\N)c1ccc(N2CCC([NH-])C2=O)cc1.[Y].

What is the InChIKey of [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium?

The InChIKey is IDEZPQPCIPNWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N3O4.C11H13N4O.Y/c1-2-21-14(20)10(7-15)17-13(19)11-12(18)8-5-3-4-6-9(8)16-11;12-9-5-6-15(11(9)16)8-3-1-7(2-4-8)10(13)14;/h3-6,10,15-16,18H,2,7H2,1H3,(H,17,19);1-4,9,12H,5-6H2,(H3,13,14);/q2*-1;.

What are the key properties of [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium?

[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium has a molecular weight of 596.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]azanide;[3-ethoxy-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]-3-oxopropyl]azanide;yttrium is sourced from PubChem (CID 153402558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).