2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid

C19H37N7O6 — CID 22656687

About 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid

2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid (PubChem CID 22656687) has the molecular formula C19H37N7O6 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid
• PubChem CID: 22656687
• Molecular Formula: C19H37N7O6
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.28
• IUPAC Name: 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid
• SMILES: CC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)CC(N)=O)C(=O)O
• InChI: InChI=1S/C19H37N7O6/c1-11(19(31)32)24-17(29)13(6-2-4-8-20)26-18(30)14(7-3-5-9-21)25-16(28)12(22)10-15(23)27/h11-14H,2-10,20-22H2,1H3,(H2,23,27)(H,24,29)(H,25,28)(H,26,30)(H,31,32)
• InChIKey: UUHVDKFIWKLFMO-UHFFFAOYSA-N
• XLogP: -2.99
• TPSA: 245.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	-2.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid?

The IUPAC name of 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid (CID 22656687) is 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid.

What is the SMILES notation for 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid?

The canonical SMILES for 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid is CC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)CC(N)=O)C(=O)O.

What is the InChIKey of 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid?

The InChIKey is UUHVDKFIWKLFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N7O6/c1-11(19(31)32)24-17(29)13(6-2-4-8-20)26-18(30)14(7-3-5-9-21)25-16(28)12(22)10-15(23)27/h11-14H,2-10,20-22H2,1H3,(H2,23,27)(H,24,29)(H,25,28)(H,26,30)(H,31,32).

What are the key properties of 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid?

2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid has a molecular weight of 459.55 g/mol, XLogP of -2.99, 17 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-amino-2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]hexanoyl]amino]propanoic acid is sourced from PubChem (CID 22656687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).