magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride

C10H19MgN3O8 — CID 173414886

IUPACmagnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
SMILESNOC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H17N3O8.Mg.2H/c11-21-10(20)6-13(5-9(18)19)2-1-12(3-7(14)15)4-8(16)17;;;/h1-6,11H2,(H,14,15)(H,16,17)(H,18,19);;;/q;+2;2*-1
InChIKeyJKWXDBFMOCNACG-UHFFFAOYSA-N
MW333.58 g/mol
LogP-2.89
Rot. Bonds11

About magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride

magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride (PubChem CID 173414886) has the molecular formula C10H19MgN3O8 and a molecular weight of 333.58 g/mol. Its IUPAC name is magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
PubChem CID173414886
Molecular FormulaC10H19MgN3O8
Molecular Weight333.58 g/mol
Exact Mass333.10
IUPAC Namemagnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
SMILESNOC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H17N3O8.Mg.2H/c11-21-10(20)6-13(5-9(18)19)2-1-12(3-7(14)15)4-8(16)17;;;/h1-6,11H2,(H,14,15)(H,16,17)(H,18,19);;;/q;+2;2*-1
InChIKeyJKWXDBFMOCNACG-UHFFFAOYSA-N
XLogP-2.89
TPSA170.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.58
LogP ≤ 5-2.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

magnesium;dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride
CID 173129288
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
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbamic acid
CID 146494251
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
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

Frequently Asked Questions

What is the IUPAC name of magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride?
The IUPAC name of magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride (CID 173414886) is magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride.
What is the SMILES notation for magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride?
The canonical SMILES for magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride is NOC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride?
The InChIKey is JKWXDBFMOCNACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O8.Mg.2H/c11-21-10(20)6-13(5-9(18)19)2-1-12(3-7(14)15)4-8(16)17;;;/h1-6,11H2,(H,14,15)(H,16,17)(H,18,19);;;/q;+2;2*-1.
What are the key properties of magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride?
magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride has a molecular weight of 333.58 g/mol, XLogP of -2.89, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-[2-[(2-aminooxy-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydride is sourced from PubChem (CID 173414886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).