11-azaniumylundecanoate

C11H23NO2 — CID 6995632

IUPAC11-azaniumylundecanoate
SMILES[NH3+]CCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
InChIKeyGUOSQNAUYHMCRU-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.49
Rot. Bonds10

About 11-azaniumylundecanoate

11-azaniumylundecanoate (PubChem CID 6995632) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 11-azaniumylundecanoate.

Molecular Properties

Compound Name11-azaniumylundecanoate
PubChem CID6995632
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name11-azaniumylundecanoate
SMILES[NH3+]CCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
InChIKeyGUOSQNAUYHMCRU-UHFFFAOYSA-N
XLogP0.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 11-azaniumylundecanoate?
The IUPAC name of 11-azaniumylundecanoate (CID 6995632) is 11-azaniumylundecanoate.
What is the SMILES notation for 11-azaniumylundecanoate?
The canonical SMILES for 11-azaniumylundecanoate is [NH3+]CCCCCCCCCCC(=O)[O-].
What is the InChIKey of 11-azaniumylundecanoate?
The InChIKey is GUOSQNAUYHMCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14).
What are the key properties of 11-azaniumylundecanoate?
11-azaniumylundecanoate has a molecular weight of 201.31 g/mol, XLogP of 0.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azaniumylundecanoate is sourced from PubChem (CID 6995632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).