sodium 2-[methyl(tetradecanoyl)amino]acetate

C17H32NNaO3 — CID 23687235

IUPACsodium 2-[methyl(tetradecanoyl)amino]acetate
SMILESCCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C17H33NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;/h3-15H2,1-2H3,(H,20,21);/q;+1/p-1
InChIKeyKHCOJQDJOCNUGV-UHFFFAOYSA-M
MW321.44 g/mol
LogP-0.10
Rot. Bonds14

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

sodium 2-[methyl(tetradecanoyl)amino]acetate (PubChem CID 23687235) has the molecular formula C17H32NNaO3 and a molecular weight of 321.44 g/mol. Its IUPAC name is sodium 2-[methyl(tetradecanoyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[methyl(tetradecanoyl)amino]acetate
PubChem CID23687235
Molecular FormulaC17H32NNaO3
Molecular Weight321.44 g/mol
Exact Mass321.23
IUPAC Namesodium 2-[methyl(tetradecanoyl)amino]acetate
SMILESCCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C17H33NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;/h3-15H2,1-2H3,(H,20,21);/q;+1/p-1
InChIKeyKHCOJQDJOCNUGV-UHFFFAOYSA-M
XLogP-0.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.10
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-[methyl(tetradecanoyl)amino]acetate?
The IUPAC name of sodium 2-[methyl(tetradecanoyl)amino]acetate (CID 23687235) is sodium 2-[methyl(tetradecanoyl)amino]acetate.
What is the SMILES notation for sodium 2-[methyl(tetradecanoyl)amino]acetate?
The canonical SMILES for sodium 2-[methyl(tetradecanoyl)amino]acetate is CCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[methyl(tetradecanoyl)amino]acetate?
The InChIKey is KHCOJQDJOCNUGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H33NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;/h3-15H2,1-2H3,(H,20,21);/q;+1/p-1.
What are the key properties of sodium 2-[methyl(tetradecanoyl)amino]acetate?
sodium 2-[methyl(tetradecanoyl)amino]acetate has a molecular weight of 321.44 g/mol, XLogP of -0.10, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[methyl(tetradecanoyl)amino]acetate is sourced from PubChem (CID 23687235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).