L4D

C₁₇H₂₂FeN₄O₂+2 — CID 135566793

About L4D

L4D (PubChem CID 135566793) has the molecular formula C₁₇H₂₂FeN₄O₂+2 and a molecular weight of 370.23 g/mol. Its IUPAC name is iron(2+);2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

• Compound Name: L4D
• PubChem CID: 135566793
• Molecular Formula: C₁₇H₂₂FeN₄O₂+2
• Molecular Weight: 370.23 g/mol
• Exact Mass: 370.11
• IUPAC Name: iron(2+);2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid
• SMILES: CN(CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1.[Fe+2]
• InChI: InChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16;/h2-9H,10-14H2,1H3,(H,22,23);/q;+2
• InChIKey: PQYVVNGXROVTEN-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.23
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of L4D?

The IUPAC name of L4D (CID 135566793) is iron(2+);2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid.

What is the SMILES notation for L4D?

The canonical SMILES for L4D is CN(CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1.[Fe+2].

What is the InChIKey of L4D?

The InChIKey is PQYVVNGXROVTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16;/h2-9H,10-14H2,1H3,(H,22,23);/q;+2.

What are the key properties of L4D?

L4D has a molecular weight of 370.23 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for L4D is sourced from PubChem (CID 135566793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135566793 — identifiers, structure, computed properties (public domain)

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