tetrasodium;tetrakis(2-(carboxymethylamino)acetate)

C16H24N4Na4O16 — CID 141289708

IUPACtetrasodium;tetrakis(2-(carboxymethylamino)acetate)
SMILESO=C([O-])CNCC(=O)O.O=C([O-])CNCC(=O)O.O=C([O-])CNCC(=O)O.O=C([O-])CNCC(=O)O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C4H7NO4.4Na/c4*6-3(7)1-5-2-4(8)9;;;;/h4*5H,1-2H2,(H,6,7)(H,8,9);;;;/q;;;;4*+1/p-4
InChIKeyQOMZYPVOOUWQLT-UHFFFAOYSA-J
MW620.34 g/mol
LogP-22.34
Rot. Bonds16

About tetrasodium;tetrakis(2-(carboxymethylamino)acetate)

tetrasodium;tetrakis(2-(carboxymethylamino)acetate) (PubChem CID 141289708) has the molecular formula C16H24N4Na4O16 and a molecular weight of 620.34 g/mol. Its IUPAC name is tetrasodium;tetrakis(2-(carboxymethylamino)acetate).

Molecular Properties

Compound Nametetrasodium;tetrakis(2-(carboxymethylamino)acetate)
PubChem CID141289708
Molecular FormulaC16H24N4Na4O16
Molecular Weight620.34 g/mol
Exact Mass620.08
IUPAC Nametetrasodium;tetrakis(2-(carboxymethylamino)acetate)
SMILESO=C([O-])CNCC(=O)O.O=C([O-])CNCC(=O)O.O=C([O-])CNCC(=O)O.O=C([O-])CNCC(=O)O.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4C4H7NO4.4Na/c4*6-3(7)1-5-2-4(8)9;;;;/h4*5H,1-2H2,(H,6,7)(H,8,9);;;;/q;;;;4*+1/p-4
InChIKeyQOMZYPVOOUWQLT-UHFFFAOYSA-J
XLogP-22.34
TPSA357.84 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500620.34
LogP ≤ 5-22.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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Related Compounds

tetrasodium bis(2-(carboxylatomethylamino)acetate)
CID 141397482
disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate
CID 158196840
diazanium;2-(carboxylatomethylamino)acetate
CID 18769481
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
2-(carboxymethylamino)acetic acid
CID 8897
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
lead(2+);bis(2-(2-oxopropylamino)acetate)
CID 87752603
sodium 2-(2-hydroxyethylamino)acetate
CID 23668304
sodium 2-(carboxyamino)acetate
CID 58758121
disodium;butanedioic acid;hexanedioate
CID 163708561
2-[(2-amino-2-oxoethyl)amino]acetic acid
CID 87871803

Frequently Asked Questions

What is the IUPAC name of tetrasodium;tetrakis(2-(carboxymethylamino)acetate)?
The IUPAC name of tetrasodium;tetrakis(2-(carboxymethylamino)acetate) (CID 141289708) is tetrasodium;tetrakis(2-(carboxymethylamino)acetate).
What is the SMILES notation for tetrasodium;tetrakis(2-(carboxymethylamino)acetate)?
The canonical SMILES for tetrasodium;tetrakis(2-(carboxymethylamino)acetate) is O=C([O-])CNCC(=O)O.O=C([O-])CNCC(=O)O.O=C([O-])CNCC(=O)O.O=C([O-])CNCC(=O)O.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;tetrakis(2-(carboxymethylamino)acetate)?
The InChIKey is QOMZYPVOOUWQLT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C4H7NO4.4Na/c4*6-3(7)1-5-2-4(8)9;;;;/h4*5H,1-2H2,(H,6,7)(H,8,9);;;;/q;;;;4*+1/p-4.
What are the key properties of tetrasodium;tetrakis(2-(carboxymethylamino)acetate)?
tetrasodium;tetrakis(2-(carboxymethylamino)acetate) has a molecular weight of 620.34 g/mol, XLogP of -22.34, 16 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;tetrakis(2-(carboxymethylamino)acetate) is sourced from PubChem (CID 141289708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).