magnesium;butanedioate;2,6-diaminohexanoic acid

C10H18MgN2O6 — CID 19961328

IUPACmagnesium;butanedioate;2,6-diaminohexanoic acid
SMILESNCCCCC(N)C(=O)O.O=C([O-])CCC(=O)[O-].[Mg+2]
InChIInChI=1S/C6H14N2O2.C4H6O4.Mg/c7-4-2-1-3-5(8)6(9)10;5-3(6)1-2-4(7)8;/h5H,1-4,7-8H2,(H,9,10);1-2H2,(H,5,6)(H,7,8);/q;;+2/p-2
InChIKeyKZDFBENRURAUNL-UHFFFAOYSA-L
MW286.57 g/mol
LogP-3.59
Rot. Bonds8

About magnesium;butanedioate;2,6-diaminohexanoic acid

magnesium;butanedioate;2,6-diaminohexanoic acid (PubChem CID 19961328) has the molecular formula C10H18MgN2O6 and a molecular weight of 286.57 g/mol. Its IUPAC name is magnesium;butanedioate;2,6-diaminohexanoic acid.

Molecular Properties

Compound Namemagnesium;butanedioate;2,6-diaminohexanoic acid
PubChem CID19961328
Molecular FormulaC10H18MgN2O6
Molecular Weight286.57 g/mol
Exact Mass286.10
IUPAC Namemagnesium;butanedioate;2,6-diaminohexanoic acid
SMILESNCCCCC(N)C(=O)O.O=C([O-])CCC(=O)[O-].[Mg+2]
InChIInChI=1S/C6H14N2O2.C4H6O4.Mg/c7-4-2-1-3-5(8)6(9)10;5-3(6)1-2-4(7)8;/h5H,1-4,7-8H2,(H,9,10);1-2H2,(H,5,6)(H,7,8);/q;;+2/p-2
InChIKeyKZDFBENRURAUNL-UHFFFAOYSA-L
XLogP-3.59
TPSA169.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.57
LogP ≤ 5-3.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

calcium;(2S)-2,6-diaminohexanoic acid;carbonate
CID 162223236
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
trimagnesium;(2S)-2,6-diaminohexanoic acid;diphosphite
CID 173217572
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180

Frequently Asked Questions

What is the IUPAC name of magnesium;butanedioate;2,6-diaminohexanoic acid?
The IUPAC name of magnesium;butanedioate;2,6-diaminohexanoic acid (CID 19961328) is magnesium;butanedioate;2,6-diaminohexanoic acid.
What is the SMILES notation for magnesium;butanedioate;2,6-diaminohexanoic acid?
The canonical SMILES for magnesium;butanedioate;2,6-diaminohexanoic acid is NCCCCC(N)C(=O)O.O=C([O-])CCC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium;butanedioate;2,6-diaminohexanoic acid?
The InChIKey is KZDFBENRURAUNL-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14N2O2.C4H6O4.Mg/c7-4-2-1-3-5(8)6(9)10;5-3(6)1-2-4(7)8;/h5H,1-4,7-8H2,(H,9,10);1-2H2,(H,5,6)(H,7,8);/q;;+2/p-2.
What are the key properties of magnesium;butanedioate;2,6-diaminohexanoic acid?
magnesium;butanedioate;2,6-diaminohexanoic acid has a molecular weight of 286.57 g/mol, XLogP of -3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butanedioate;2,6-diaminohexanoic acid is sourced from PubChem (CID 19961328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).