sodium 2-[dodecanoyl(methyl)amino]acetate

C15H28NNaO3 — CID 23668817

IUPACsodium 2-[dodecanoyl(methyl)amino]acetate
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C15H29NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);/q;+1/p-1
InChIKeyKSAVQLQVUXSOCR-UHFFFAOYSA-M
MW293.38 g/mol
LogP-0.88
Rot. Bonds12

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

sodium 2-[dodecanoyl(methyl)amino]acetate (PubChem CID 23668817) has the molecular formula C15H28NNaO3 and a molecular weight of 293.38 g/mol. Its IUPAC name is sodium 2-[dodecanoyl(methyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[dodecanoyl(methyl)amino]acetate
PubChem CID23668817
Molecular FormulaC15H28NNaO3
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Namesodium 2-[dodecanoyl(methyl)amino]acetate
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C15H29NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);/q;+1/p-1
InChIKeyKSAVQLQVUXSOCR-UHFFFAOYSA-M
XLogP-0.88
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 5-0.88
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-[dodecanoyl(methyl)amino]acetate?
The IUPAC name of sodium 2-[dodecanoyl(methyl)amino]acetate (CID 23668817) is sodium 2-[dodecanoyl(methyl)amino]acetate.
What is the SMILES notation for sodium 2-[dodecanoyl(methyl)amino]acetate?
The canonical SMILES for sodium 2-[dodecanoyl(methyl)amino]acetate is CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[dodecanoyl(methyl)amino]acetate?
The InChIKey is KSAVQLQVUXSOCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H29NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);/q;+1/p-1.
What are the key properties of sodium 2-[dodecanoyl(methyl)amino]acetate?
sodium 2-[dodecanoyl(methyl)amino]acetate has a molecular weight of 293.38 g/mol, XLogP of -0.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[dodecanoyl(methyl)amino]acetate is sourced from PubChem (CID 23668817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).