calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate

C8H10CaMgN2O8 — CID 140602404

IUPACcalcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].N[C@H](CC(=O)[O-])C(=O)[O-].[Ca+2].[Mg+2]
InChIInChI=1S/2C4H7NO4.Ca.Mg/c2*5-2(4(8)9)1-3(6)7;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;/q;;2*+2/p-4/t2*2-;;/m10../s1
InChIKeyDWUNAXHHUKYSAM-AWPRJSHLSA-J
MW326.56 g/mol
LogP-8.35
Rot. Bonds6

About calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate

calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate (PubChem CID 140602404) has the molecular formula C8H10CaMgN2O8 and a molecular weight of 326.56 g/mol. Its IUPAC name is calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate.

Molecular Properties

Compound Namecalcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
PubChem CID140602404
Molecular FormulaC8H10CaMgN2O8
Molecular Weight326.56 g/mol
Exact Mass325.99
IUPAC Namecalcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].N[C@H](CC(=O)[O-])C(=O)[O-].[Ca+2].[Mg+2]
InChIInChI=1S/2C4H7NO4.Ca.Mg/c2*5-2(4(8)9)1-3(6)7;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;/q;;2*+2/p-4/t2*2-;;/m10../s1
InChIKeyDWUNAXHHUKYSAM-AWPRJSHLSA-J
XLogP-8.35
TPSA212.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.56
LogP ≤ 5-8.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate?
The IUPAC name of calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate (CID 140602404) is calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate.
What is the SMILES notation for calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate?
The canonical SMILES for calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate is N[C@@H](CC(=O)[O-])C(=O)[O-].N[C@H](CC(=O)[O-])C(=O)[O-].[Ca+2].[Mg+2].
What is the InChIKey of calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate?
The InChIKey is DWUNAXHHUKYSAM-AWPRJSHLSA-J. The full InChI is InChI=1S/2C4H7NO4.Ca.Mg/c2*5-2(4(8)9)1-3(6)7;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;/q;;2*+2/p-4/t2*2-;;/m10../s1.
What are the key properties of calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate?
calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate has a molecular weight of 326.56 g/mol, XLogP of -8.35, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate is sourced from PubChem (CID 140602404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).