dipotassium;2-(carboxylatomethylamino)acetate

C4H5K2NO4 — CID 18769479

IUPACdipotassium;2-(carboxylatomethylamino)acetate
SMILESO=C([O-])CNCC(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H7NO4.2K/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyXEQIERZCOHTONL-UHFFFAOYSA-L
MW209.28 g/mol
LogP-9.92
Rot. Bonds4

About dipotassium;2-(carboxylatomethylamino)acetate

dipotassium;2-(carboxylatomethylamino)acetate (PubChem CID 18769479) has the molecular formula C4H5K2NO4 and a molecular weight of 209.28 g/mol. Its IUPAC name is dipotassium;2-(carboxylatomethylamino)acetate.

Molecular Properties

Compound Namedipotassium;2-(carboxylatomethylamino)acetate
PubChem CID18769479
Molecular FormulaC4H5K2NO4
Molecular Weight209.28 g/mol
Exact Mass208.95
IUPAC Namedipotassium;2-(carboxylatomethylamino)acetate
SMILESO=C([O-])CNCC(=O)[O-].[K+].[K+]
InChIInChI=1S/C4H7NO4.2K/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyXEQIERZCOHTONL-UHFFFAOYSA-L
XLogP-9.92
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 5-9.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(carboxylatomethylamino)acetate?
The IUPAC name of dipotassium;2-(carboxylatomethylamino)acetate (CID 18769479) is dipotassium;2-(carboxylatomethylamino)acetate.
What is the SMILES notation for dipotassium;2-(carboxylatomethylamino)acetate?
The canonical SMILES for dipotassium;2-(carboxylatomethylamino)acetate is O=C([O-])CNCC(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-(carboxylatomethylamino)acetate?
The InChIKey is XEQIERZCOHTONL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H7NO4.2K/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-(carboxylatomethylamino)acetate?
dipotassium;2-(carboxylatomethylamino)acetate has a molecular weight of 209.28 g/mol, XLogP of -9.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-(carboxylatomethylamino)acetate is sourced from PubChem (CID 18769479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).