tetrasodium bis(2-(carboxylatomethylamino)acetate)

C8H10N2Na4O8 — CID 141397482

IUPACtetrasodium bis(2-(carboxylatomethylamino)acetate)
SMILESO=C([O-])CNCC(=O)[O-].O=C([O-])CNCC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C4H7NO4.4Na/c2*6-3(7)1-5-2-4(8)9;;;;/h2*5H,1-2H2,(H,6,7)(H,8,9);;;;/q;;4*+1/p-4
InChIKeyOSZNLJUSDZXGNC-UHFFFAOYSA-J
MW354.13 g/mol
LogP-19.83
Rot. Bonds8

About tetrasodium bis(2-(carboxylatomethylamino)acetate)

tetrasodium bis(2-(carboxylatomethylamino)acetate) (PubChem CID 141397482) has the molecular formula C8H10N2Na4O8 and a molecular weight of 354.13 g/mol. Its IUPAC name is tetrasodium bis(2-(carboxylatomethylamino)acetate).

Molecular Properties

Compound Nametetrasodium bis(2-(carboxylatomethylamino)acetate)
PubChem CID141397482
Molecular FormulaC8H10N2Na4O8
Molecular Weight354.13 g/mol
Exact Mass354.00
IUPAC Nametetrasodium bis(2-(carboxylatomethylamino)acetate)
SMILESO=C([O-])CNCC(=O)[O-].O=C([O-])CNCC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C4H7NO4.4Na/c2*6-3(7)1-5-2-4(8)9;;;;/h2*5H,1-2H2,(H,6,7)(H,8,9);;;;/q;;4*+1/p-4
InChIKeyOSZNLJUSDZXGNC-UHFFFAOYSA-J
XLogP-19.83
TPSA184.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.13
LogP ≤ 5-19.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

diazanium;2-(carboxylatomethylamino)acetate
CID 18769481
tetrasodium;tetrakis(2-(carboxymethylamino)acetate)
CID 141289708
sodium 2-(2-hydroxyethylamino)acetate
CID 23668304
lead(2+);bis(2-(2-oxopropylamino)acetate)
CID 87752603
disodium bis(2-(2-aminoethylamino)acetate)
CID 173036397
sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)
CID 23701740
disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate
CID 158196840
sodium 2-(2-oxopentadecylamino)acetate
CID 87777451
sodium 2-(carboxyamino)acetate
CID 58758121
sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate
CID 140993572
calcium bis(2-(phosphonomethylamino)acetate)
CID 139601008
sodium 4-(hydroxymethylamino)butanoate
CID 141391824

Frequently Asked Questions

What is the IUPAC name of tetrasodium bis(2-(carboxylatomethylamino)acetate)?
The IUPAC name of tetrasodium bis(2-(carboxylatomethylamino)acetate) (CID 141397482) is tetrasodium bis(2-(carboxylatomethylamino)acetate).
What is the SMILES notation for tetrasodium bis(2-(carboxylatomethylamino)acetate)?
The canonical SMILES for tetrasodium bis(2-(carboxylatomethylamino)acetate) is O=C([O-])CNCC(=O)[O-].O=C([O-])CNCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium bis(2-(carboxylatomethylamino)acetate)?
The InChIKey is OSZNLJUSDZXGNC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C4H7NO4.4Na/c2*6-3(7)1-5-2-4(8)9;;;;/h2*5H,1-2H2,(H,6,7)(H,8,9);;;;/q;;4*+1/p-4.
What are the key properties of tetrasodium bis(2-(carboxylatomethylamino)acetate)?
tetrasodium bis(2-(carboxylatomethylamino)acetate) has a molecular weight of 354.13 g/mol, XLogP of -19.83, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium bis(2-(carboxylatomethylamino)acetate) is sourced from PubChem (CID 141397482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).