trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)

C12H12Mg3N2O12 — CID 155804082

IUPACtrimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)
SMILESO=C([O-])CN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H9NO6.3Mg/c2*8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h2*1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;;3*+2/p-6
InChIKeyMEQCYKMRKVMAKO-UHFFFAOYSA-H
MW449.15 g/mol
LogP-12.07
Rot. Bonds12

About trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)

trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate) (PubChem CID 155804082) has the molecular formula C12H12Mg3N2O12 and a molecular weight of 449.15 g/mol. Its IUPAC name is trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate).

Molecular Properties

Compound Nametrimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)
PubChem CID155804082
Molecular FormulaC12H12Mg3N2O12
Molecular Weight449.15 g/mol
Exact Mass447.99
IUPAC Nametrimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)
SMILESO=C([O-])CN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C6H9NO6.3Mg/c2*8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h2*1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;;3*+2/p-6
InChIKeyMEQCYKMRKVMAKO-UHFFFAOYSA-H
XLogP-12.07
TPSA247.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.15
LogP ≤ 5-12.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

tris(barium(2+));bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 172778112
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918
tris(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);tetrakis(gold(3+))
CID 173205311
tetracalcium bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate)
CID 157417440
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;palladium
CID 15436232
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
triazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 139597842
pentakis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);tetrakis(vanadium)
CID 173065656
magnesium;dioxidanium;bis(2-[carboxylatomethyl(carboxymethyl)amino]acetate);molybdenum;pentakis(oxygen(2-));decahydrate
CID 139065176
2-[bis(carboxymethyl)amino]acetate;2-[carboxylatomethyl(carboxymethyl)amino]acetate;gadolinium(2+);hydrate
CID 6394562
hexasodium;bis(2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate);nickel(2+)
CID 159433382

Frequently Asked Questions

What is the IUPAC name of trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)?
The IUPAC name of trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate) (CID 155804082) is trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate).
What is the SMILES notation for trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)?
The canonical SMILES for trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate) is O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)?
The InChIKey is MEQCYKMRKVMAKO-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H9NO6.3Mg/c2*8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h2*1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;;3*+2/p-6.
What are the key properties of trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)?
trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate) has a molecular weight of 449.15 g/mol, XLogP of -12.07, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate) is sourced from PubChem (CID 155804082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).