calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride

C6H15CaMgNO5 — CID 173019440

IUPACcalcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride
SMILESCC(O)N(CC(=O)O)CC(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/C6H11NO5.Ca.Mg.4H/c1-4(8)7(2-5(9)10)3-6(11)12;;;;;;/h4,8H,2-3H2,1H3,(H,9,10)(H,11,12);;;;;;/q;2*+2;4*-1
InChIKeyFSYXSRQNRXJRFR-UHFFFAOYSA-N
MW245.57 g/mol
LogP-1.52
Rot. Bonds5

About calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride

calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride (PubChem CID 173019440) has the molecular formula C6H15CaMgNO5 and a molecular weight of 245.57 g/mol. Its IUPAC name is calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride.

Molecular Properties

Compound Namecalcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride
PubChem CID173019440
Molecular FormulaC6H15CaMgNO5
Molecular Weight245.57 g/mol
Exact Mass245.04
IUPAC Namecalcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride
SMILESCC(O)N(CC(=O)O)CC(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/C6H11NO5.Ca.Mg.4H/c1-4(8)7(2-5(9)10)3-6(11)12;;;;;;/h4,8H,2-3H2,1H3,(H,9,10)(H,11,12);;;;;;/q;2*+2;4*-1
InChIKeyFSYXSRQNRXJRFR-UHFFFAOYSA-N
XLogP-1.52
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.57
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride 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;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride?
The IUPAC name of calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride (CID 173019440) is calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride.
What is the SMILES notation for calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride?
The canonical SMILES for calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride is CC(O)N(CC(=O)O)CC(=O)O.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride?
The InChIKey is FSYXSRQNRXJRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5.Ca.Mg.4H/c1-4(8)7(2-5(9)10)3-6(11)12;;;;;;/h4,8H,2-3H2,1H3,(H,9,10)(H,11,12);;;;;;/q;2*+2;4*-1.
What are the key properties of calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride?
calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride has a molecular weight of 245.57 g/mol, XLogP of -1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;2-[carboxymethyl(1-hydroxyethyl)amino]acetic acid;hydride is sourced from PubChem (CID 173019440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).