11-(dimethylamino)undecanoic acid

C13H27NO2 — CID 10585511

IUPAC11-(dimethylamino)undecanoic acid
SMILESCN(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C13H27NO2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13(15)16/h3-12H2,1-2H3,(H,15,16)
InChIKeyQYJPYHNJKXLXHF-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.14
Rot. Bonds11

About 11-(dimethylamino)undecanoic acid

11-(dimethylamino)undecanoic acid (PubChem CID 10585511) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 11-(dimethylamino)undecanoic acid.

Molecular Properties

Compound Name11-(dimethylamino)undecanoic acid
PubChem CID10585511
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name11-(dimethylamino)undecanoic acid
SMILESCN(C)CCCCCCCCCCC(=O)O
InChIInChI=1S/C13H27NO2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13(15)16/h3-12H2,1-2H3,(H,15,16)
InChIKeyQYJPYHNJKXLXHF-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.14
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-(dimethylamino)undecanoic acid?
The IUPAC name of 11-(dimethylamino)undecanoic acid (CID 10585511) is 11-(dimethylamino)undecanoic acid.
What is the SMILES notation for 11-(dimethylamino)undecanoic acid?
The canonical SMILES for 11-(dimethylamino)undecanoic acid is CN(C)CCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(dimethylamino)undecanoic acid?
The InChIKey is QYJPYHNJKXLXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13(15)16/h3-12H2,1-2H3,(H,15,16).
What are the key properties of 11-(dimethylamino)undecanoic acid?
11-(dimethylamino)undecanoic acid has a molecular weight of 229.36 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(dimethylamino)undecanoic acid is sourced from PubChem (CID 10585511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).