2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate

C26H55N3O5 — CID 87330728

IUPAC2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate
SMILESCCCC(C(=O)O)N(C)C.CCCCCCCCCCCCCC(N)=O.C[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/C14H29NO.C7H15NO2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4-5-6(7(9)10)8(2)3;1-6(2,3)4-5(7)8/h2-13H2,1H3,(H2,15,16);6H,4-5H2,1-3H3,(H,9,10);4H2,1-3H3
InChIKeyLALQUIUFOCEFLQ-UHFFFAOYSA-N
MW489.74 g/mol
LogP3.42
Rot. Bonds18

About 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate

2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate (PubChem CID 87330728) has the molecular formula C26H55N3O5 and a molecular weight of 489.74 g/mol. Its IUPAC name is 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate.

Molecular Properties

Compound Name2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate
PubChem CID87330728
Molecular FormulaC26H55N3O5
Molecular Weight489.74 g/mol
Exact Mass489.41
IUPAC Name2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate
SMILESCCCC(C(=O)O)N(C)C.CCCCCCCCCCCCCC(N)=O.C[N+](C)(C)CC(=O)[O-]
InChIInChI=1S/C14H29NO.C7H15NO2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4-5-6(7(9)10)8(2)3;1-6(2,3)4-5(7)8/h2-13H2,1H3,(H2,15,16);6H,4-5H2,1-3H3,(H,9,10);4H2,1-3H3
InChIKeyLALQUIUFOCEFLQ-UHFFFAOYSA-N
XLogP3.42
TPSA123.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.74
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)pentanoic acid;dodecan-1-amine
CID 172752605
hexadecanoate;2-(trimethylazaniumyl)acetate
CID 22242455
2-(dimethylamino)tetracosanoic acid
CID 19101458
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
CID 175765427
CID 175765427
CID 175765431
CID 175765431
2-[methyl(tetradecanoyl)amino]pentanoic acid
CID 175341012
sodium;octanamide;propanoate
CID 158225803
CID 175857713
CID 175857713
propyl dodecanoate;2-(trimethylazaniumyl)acetate
CID 23093438

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate?
The IUPAC name of 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate (CID 87330728) is 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate.
What is the SMILES notation for 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate?
The canonical SMILES for 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate is CCCC(C(=O)O)N(C)C.CCCCCCCCCCCCCC(N)=O.C[N+](C)(C)CC(=O)[O-].
What is the InChIKey of 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate?
The InChIKey is LALQUIUFOCEFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.C7H15NO2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4-5-6(7(9)10)8(2)3;1-6(2,3)4-5(7)8/h2-13H2,1H3,(H2,15,16);6H,4-5H2,1-3H3,(H,9,10);4H2,1-3H3.
What are the key properties of 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate?
2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate has a molecular weight of 489.74 g/mol, XLogP of 3.42, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pentanoic acid;tetradecanamide;2-(trimethylazaniumyl)acetate is sourced from PubChem (CID 87330728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).