magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride

C10H20K2MgN2O8 — CID 173129288

IUPACmagnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[H-].[H-].[H-].[H-].[K+].[K+].[Mg+2]
InChIInChI=1S/C10H16N2O8.2K.Mg.4H/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;;;/q;2*+1;+2;4*-1
InChIKeyPCBMYACPLZDJLI-UHFFFAOYSA-N
MW398.78 g/mol
LogP-7.99
Rot. Bonds11

About magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride

magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride (PubChem CID 173129288) has the molecular formula C10H20K2MgN2O8 and a molecular weight of 398.78 g/mol. Its IUPAC name is magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride.

Molecular Properties

Compound Namemagnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
PubChem CID173129288
Molecular FormulaC10H20K2MgN2O8
Molecular Weight398.78 g/mol
Exact Mass398.03
IUPAC Namemagnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[H-].[H-].[H-].[H-].[K+].[K+].[Mg+2]
InChIInChI=1S/C10H16N2O8.2K.Mg.4H/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;;;/q;2*+1;+2;4*-1
InChIKeyPCBMYACPLZDJLI-UHFFFAOYSA-N
XLogP-7.99
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.78
LogP ≤ 5-7.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

magnesium;disodium;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);hydride
CID 173152374
calcium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride;dihydrate
CID 173117550
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;hydride;iron
CID 173090739
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron;manganese
CID 170943983

Frequently Asked Questions

What is the IUPAC name of magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride?
The IUPAC name of magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride (CID 173129288) is magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride.
What is the SMILES notation for magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride?
The canonical SMILES for magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[H-].[H-].[H-].[H-].[K+].[K+].[Mg+2].
What is the InChIKey of magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride?
The InChIKey is PCBMYACPLZDJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.2K.Mg.4H/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;;;/q;2*+1;+2;4*-1.
What are the key properties of magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride?
magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride has a molecular weight of 398.78 g/mol, XLogP of -7.99, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride is sourced from PubChem (CID 173129288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).