sodium 2-[decanoyl(methyl)amino]acetate

C13H24NNaO3 — CID 44630262

IUPACsodium 2-[decanoyl(methyl)amino]acetate
SMILESCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C13H25NO3.Na/c1-3-4-5-6-7-8-9-10-12(15)14(2)11-13(16)17;/h3-11H2,1-2H3,(H,16,17);/q;+1/p-1
InChIKeyLXXIWMVZOWQLIH-UHFFFAOYSA-M
MW265.33 g/mol
LogP-1.66
Rot. Bonds10

About sodium 2-[decanoyl(methyl)amino]acetate

sodium 2-[decanoyl(methyl)amino]acetate (PubChem CID 44630262) has the molecular formula C13H24NNaO3 and a molecular weight of 265.33 g/mol. Its IUPAC name is sodium 2-[decanoyl(methyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[decanoyl(methyl)amino]acetate
PubChem CID44630262
Molecular FormulaC13H24NNaO3
Molecular Weight265.33 g/mol
Exact Mass265.17
IUPAC Namesodium 2-[decanoyl(methyl)amino]acetate
SMILESCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C13H25NO3.Na/c1-3-4-5-6-7-8-9-10-12(15)14(2)11-13(16)17;/h3-11H2,1-2H3,(H,16,17);/q;+1/p-1
InChIKeyLXXIWMVZOWQLIH-UHFFFAOYSA-M
XLogP-1.66
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
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 sodium 2-[decanoyl(methyl)amino]acetate?
The IUPAC name of sodium 2-[decanoyl(methyl)amino]acetate (CID 44630262) is sodium 2-[decanoyl(methyl)amino]acetate.
What is the SMILES notation for sodium 2-[decanoyl(methyl)amino]acetate?
The canonical SMILES for sodium 2-[decanoyl(methyl)amino]acetate is CCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[decanoyl(methyl)amino]acetate?
The InChIKey is LXXIWMVZOWQLIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H25NO3.Na/c1-3-4-5-6-7-8-9-10-12(15)14(2)11-13(16)17;/h3-11H2,1-2H3,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 2-[decanoyl(methyl)amino]acetate?
sodium 2-[decanoyl(methyl)amino]acetate has a molecular weight of 265.33 g/mol, XLogP of -1.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[decanoyl(methyl)amino]acetate is sourced from PubChem (CID 44630262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).