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'}

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Related Compounds

disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
CID 22151994
2-[bis(carboxymethyl)amino]-3-methylbutanoic acid
CID 23422375
2-[3-[bis(carboxymethyl)amino]butan-2-yl-(carboxymethyl)amino]acetic acid;butane-2,3-diamine
CID 23020639
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
2-[5-methylhexan-2-yl(2-methylpropyl)amino]acetic acid
CID 65063808
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115
2-[bis(carboxymethyl)amino]butanoic acid
CID 22935674
2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
CID 63931350

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).