sodium 2-(dodecylamino)acetate

C14H28NNaO2 — CID 23706239

IUPACsodium 2-(dodecylamino)acetate
SMILESCCCCCCCCCCCCNCC(=O)[O-].[Na+]
InChIInChI=1S/C14H29NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17;/h15H,2-13H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyFRHOIPVLDOWSFE-UHFFFAOYSA-M
MW265.37 g/mol
LogP-0.75
Rot. Bonds13

About sodium 2-(dodecylamino)acetate

sodium 2-(dodecylamino)acetate (PubChem CID 23706239) has the molecular formula C14H28NNaO2 and a molecular weight of 265.37 g/mol. Its IUPAC name is sodium 2-(dodecylamino)acetate.

Molecular Properties

Compound Namesodium 2-(dodecylamino)acetate
PubChem CID23706239
Molecular FormulaC14H28NNaO2
Molecular Weight265.37 g/mol
Exact Mass265.20
IUPAC Namesodium 2-(dodecylamino)acetate
SMILESCCCCCCCCCCCCNCC(=O)[O-].[Na+]
InChIInChI=1S/C14H29NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17;/h15H,2-13H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyFRHOIPVLDOWSFE-UHFFFAOYSA-M
XLogP-0.75
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
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-(dodecylamino)acetate?
The IUPAC name of sodium 2-(dodecylamino)acetate (CID 23706239) is sodium 2-(dodecylamino)acetate.
What is the SMILES notation for sodium 2-(dodecylamino)acetate?
The canonical SMILES for sodium 2-(dodecylamino)acetate is CCCCCCCCCCCCNCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(dodecylamino)acetate?
The InChIKey is FRHOIPVLDOWSFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H29NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(16)17;/h15H,2-13H2,1H3,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 2-(dodecylamino)acetate?
sodium 2-(dodecylamino)acetate has a molecular weight of 265.37 g/mol, XLogP of -0.75, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(dodecylamino)acetate is sourced from PubChem (CID 23706239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).