magnesium;bis(4-aminobutanoic acid);butanoic acid

C12H26MgN2O6+2 — CID 11956325

IUPACmagnesium;bis(4-aminobutanoic acid);butanoic acid
SMILESCCCC(=O)O.NCCCC(=O)O.NCCCC(=O)O.[Mg+2]
InChIInChI=1S/2C4H9NO2.C4H8O2.Mg/c2*5-3-1-2-4(6)7;1-2-3-4(5)6;/h2*1-3,5H2,(H,6,7);2-3H2,1H3,(H,5,6);/q;;;+2
InChIKeyYTORGCROIZMLQW-UHFFFAOYSA-N
MW318.65 g/mol
LogP0.11
Rot. Bonds8

About magnesium;bis(4-aminobutanoic acid);butanoic acid

magnesium;bis(4-aminobutanoic acid);butanoic acid (PubChem CID 11956325) has the molecular formula C12H26MgN2O6+2 and a molecular weight of 318.65 g/mol. Its IUPAC name is magnesium;bis(4-aminobutanoic acid);butanoic acid.

Molecular Properties

Compound Namemagnesium;bis(4-aminobutanoic acid);butanoic acid
PubChem CID11956325
Molecular FormulaC12H26MgN2O6+2
Molecular Weight318.65 g/mol
Exact Mass318.16
IUPAC Namemagnesium;bis(4-aminobutanoic acid);butanoic acid
SMILESCCCC(=O)O.NCCCC(=O)O.NCCCC(=O)O.[Mg+2]
InChIInChI=1S/2C4H9NO2.C4H8O2.Mg/c2*5-3-1-2-4(6)7;1-2-3-4(5)6;/h2*1-3,5H2,(H,6,7);2-3H2,1H3,(H,5,6);/q;;;+2
InChIKeyYTORGCROIZMLQW-UHFFFAOYSA-N
XLogP0.11
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.65
LogP ≤ 50.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-aminobutanoic acid;dihydrochloride
CID 87111723
potassium;4-aminobutanoic acid;hydride
CID 173078667
bis(2-aminoacetic acid);butanoic acid
CID 174823541
4-aminobutanoic acid;urea
CID 87654258
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538
decan-1-amine;tetradecanoic acid
CID 158474246
7-aminoheptanoic acid;heptanoic acid
CID 157060940
decan-1-amine;dodecanoic acid
CID 173305256
hexadecanoic acid;pentan-1-amine
CID 161401164
icosan-1-amine;octadecanoic acid
CID 174740583
pentan-1-amine;tetradecanoic acid
CID 174809000

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(4-aminobutanoic acid);butanoic acid?
The IUPAC name of magnesium;bis(4-aminobutanoic acid);butanoic acid (CID 11956325) is magnesium;bis(4-aminobutanoic acid);butanoic acid.
What is the SMILES notation for magnesium;bis(4-aminobutanoic acid);butanoic acid?
The canonical SMILES for magnesium;bis(4-aminobutanoic acid);butanoic acid is CCCC(=O)O.NCCCC(=O)O.NCCCC(=O)O.[Mg+2].
What is the InChIKey of magnesium;bis(4-aminobutanoic acid);butanoic acid?
The InChIKey is YTORGCROIZMLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO2.C4H8O2.Mg/c2*5-3-1-2-4(6)7;1-2-3-4(5)6;/h2*1-3,5H2,(H,6,7);2-3H2,1H3,(H,5,6);/q;;;+2.
What are the key properties of magnesium;bis(4-aminobutanoic acid);butanoic acid?
magnesium;bis(4-aminobutanoic acid);butanoic acid has a molecular weight of 318.65 g/mol, XLogP of 0.11, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(4-aminobutanoic acid);butanoic acid is sourced from PubChem (CID 11956325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).