6-(6-azaniumylhexanoylamino)hexanoate

C12H24N2O3 — CID 5245705

IUPAC6-(6-azaniumylhexanoylamino)hexanoate
SMILES[NH3+]CCCCCC(=O)NCCCCCC(=O)[O-]
InChIInChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKeyIWENLYKHSZCPRD-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.78
Rot. Bonds11

About 6-(6-azaniumylhexanoylamino)hexanoate

6-(6-azaniumylhexanoylamino)hexanoate (PubChem CID 5245705) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-(6-azaniumylhexanoylamino)hexanoate.

Molecular Properties

Compound Name6-(6-azaniumylhexanoylamino)hexanoate
PubChem CID5245705
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name6-(6-azaniumylhexanoylamino)hexanoate
SMILES[NH3+]CCCCCC(=O)NCCCCCC(=O)[O-]
InChIInChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKeyIWENLYKHSZCPRD-UHFFFAOYSA-N
XLogP-0.78
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-azaniumylhexanoylamino)hexanoate?
The IUPAC name of 6-(6-azaniumylhexanoylamino)hexanoate (CID 5245705) is 6-(6-azaniumylhexanoylamino)hexanoate.
What is the SMILES notation for 6-(6-azaniumylhexanoylamino)hexanoate?
The canonical SMILES for 6-(6-azaniumylhexanoylamino)hexanoate is [NH3+]CCCCCC(=O)NCCCCCC(=O)[O-].
What is the InChIKey of 6-(6-azaniumylhexanoylamino)hexanoate?
The InChIKey is IWENLYKHSZCPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17).
What are the key properties of 6-(6-azaniumylhexanoylamino)hexanoate?
6-(6-azaniumylhexanoylamino)hexanoate has a molecular weight of 244.33 g/mol, XLogP of -0.78, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azaniumylhexanoylamino)hexanoate is sourced from PubChem (CID 5245705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).