sodium 2-(dimethylamino)acetate

C4H8NNaO2 — CID 23695761

IUPACsodium 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C4H9NO2.Na/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);/q;+1/p-1
InChIKeyQGPBIYNLYDWLQE-UHFFFAOYSA-M
MW125.10 g/mol
LogP-4.70
Rot. Bonds2

About sodium 2-(dimethylamino)acetate

sodium 2-(dimethylamino)acetate (PubChem CID 23695761) has the molecular formula C4H8NNaO2 and a molecular weight of 125.10 g/mol. Its IUPAC name is sodium 2-(dimethylamino)acetate.

Molecular Properties

Compound Namesodium 2-(dimethylamino)acetate
PubChem CID23695761
Molecular FormulaC4H8NNaO2
Molecular Weight125.10 g/mol
Exact Mass125.05
IUPAC Namesodium 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C4H9NO2.Na/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);/q;+1/p-1
InChIKeyQGPBIYNLYDWLQE-UHFFFAOYSA-M
XLogP-4.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.10
LogP ≤ 5-4.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze sodium 2-(dimethylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc;(E)-but-2-enedioic acid;bis(2-(dimethylamino)acetate)
CID 161312913
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241
sodium 2-[methyl(sulfidocarbothioyl)amino]acetate
CID 102587922
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
trisodium;propanoate
CID 86625665
disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
CID 22151994
tetrasodium;acetic acid;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 172825795
trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 155804082
tris(barium(2+));bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 172778112
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;chromium(3+)
CID 11574111
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918

Frequently Asked Questions

What is the IUPAC name of sodium 2-(dimethylamino)acetate?
The IUPAC name of sodium 2-(dimethylamino)acetate (CID 23695761) is sodium 2-(dimethylamino)acetate.
What is the SMILES notation for sodium 2-(dimethylamino)acetate?
The canonical SMILES for sodium 2-(dimethylamino)acetate is CN(C)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(dimethylamino)acetate?
The InChIKey is QGPBIYNLYDWLQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO2.Na/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);/q;+1/p-1.
What are the key properties of sodium 2-(dimethylamino)acetate?
sodium 2-(dimethylamino)acetate has a molecular weight of 125.10 g/mol, XLogP of -4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(dimethylamino)acetate is sourced from PubChem (CID 23695761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).