sodium 2-(diethylamino)acetate

C6H12NNaO2 — CID 23670834

IUPACsodium 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)[O-].[Na+]
InChIInChI=1S/C6H13NO2.Na/c1-3-7(4-2)5-6(8)9;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyWXFLIROEULQDMT-UHFFFAOYSA-M
MW153.16 g/mol
LogP-3.92
Rot. Bonds4

About sodium 2-(diethylamino)acetate

sodium 2-(diethylamino)acetate (PubChem CID 23670834) has the molecular formula C6H12NNaO2 and a molecular weight of 153.16 g/mol. Its IUPAC name is sodium 2-(diethylamino)acetate.

Molecular Properties

Compound Namesodium 2-(diethylamino)acetate
PubChem CID23670834
Molecular FormulaC6H12NNaO2
Molecular Weight153.16 g/mol
Exact Mass153.08
IUPAC Namesodium 2-(diethylamino)acetate
SMILESCCN(CC)CC(=O)[O-].[Na+]
InChIInChI=1S/C6H13NO2.Na/c1-3-7(4-2)5-6(8)9;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyWXFLIROEULQDMT-UHFFFAOYSA-M
XLogP-3.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-3.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(diethylamino)acetate?
The IUPAC name of sodium 2-(diethylamino)acetate (CID 23670834) is sodium 2-(diethylamino)acetate.
What is the SMILES notation for sodium 2-(diethylamino)acetate?
The canonical SMILES for sodium 2-(diethylamino)acetate is CCN(CC)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(diethylamino)acetate?
The InChIKey is WXFLIROEULQDMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2.Na/c1-3-7(4-2)5-6(8)9;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-(diethylamino)acetate?
sodium 2-(diethylamino)acetate has a molecular weight of 153.16 g/mol, XLogP of -3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(diethylamino)acetate is sourced from PubChem (CID 23670834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).