6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid

C18H36N6O5 — CID 18232813

About 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid

6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid (PubChem CID 18232813) has the molecular formula C18H36N6O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid
• PubChem CID: 18232813
• Molecular Formula: C18H36N6O5
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.27
• IUPAC Name: 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid
• SMILES: CC(N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O
• InChI: InChI=1S/C18H36N6O5/c1-11(21)15(25)22-12(2)16(26)23-13(7-3-5-9-19)17(27)24-14(18(28)29)8-4-6-10-20/h11-14H,3-10,19-21H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)
• InChIKey: QNGZPJUHZUGIMG-UHFFFAOYSA-N
• XLogP: -1.85
• TPSA: 202.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	-1.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid?

The IUPAC name of 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid (CID 18232813) is 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid.

What is the SMILES notation for 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid?

The canonical SMILES for 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid is CC(N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O.

What is the InChIKey of 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid?

The InChIKey is QNGZPJUHZUGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O5/c1-11(21)15(25)22-12(2)16(26)23-13(7-3-5-9-19)17(27)24-14(18(28)29)8-4-6-10-20/h11-14H,3-10,19-21H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29).

What are the key properties of 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid?

6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid has a molecular weight of 416.52 g/mol, XLogP of -1.85, 15 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid is sourced from PubChem (CID 18232813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).