disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate

C10H16N2Na2O7 — CID 56841718

IUPACdisodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
SMILESO=C([O-])CN(CCO)CCN(CC(=O)[O-])CC(=O)O.[Na+].[Na+]
InChIInChI=1S/C10H18N2O7.2Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;/q;2*+1/p-2
InChIKeyHMMZUOFUYYDMNY-UHFFFAOYSA-L
MW322.23 g/mol
LogP-10.82
Rot. Bonds11

About disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate

disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate (PubChem CID 56841718) has the molecular formula C10H16N2Na2O7 and a molecular weight of 322.23 g/mol. Its IUPAC name is disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namedisodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
PubChem CID56841718
Molecular FormulaC10H16N2Na2O7
Molecular Weight322.23 g/mol
Exact Mass322.08
IUPAC Namedisodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
SMILESO=C([O-])CN(CCO)CCN(CC(=O)[O-])CC(=O)O.[Na+].[Na+]
InChIInChI=1S/C10H18N2O7.2Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;/q;2*+1/p-2
InChIKeyHMMZUOFUYYDMNY-UHFFFAOYSA-L
XLogP-10.82
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 5-10.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Ethylenediaminetetraacetic Acid
CID 6049
Ethylenediaminetetraacetic acid disodium salt
CID 8759
Edetate Disodium
CID 636371
Diethylenetriaminepentaacetic acid
CID 3053
EDTA disodium salt
CID 13020083
EDTA (disodium)
CID 59718226
Hydroxyethylethylenediaminetriacetic acid
CID 8773
Disodium EDTA
CID 9839867
Disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 9902403
Edta disodium
CID 44120005
Pentasodium Pentetate
CID 8779
Ethylenediaminetetraacetic acid disodium
CID 9949814

Frequently Asked Questions

What is the IUPAC name of disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
The IUPAC name of disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate (CID 56841718) is disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
The canonical SMILES for disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate is O=C([O-])CN(CCO)CCN(CC(=O)[O-])CC(=O)O.[Na+].[Na+].
What is the InChIKey of disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
The InChIKey is HMMZUOFUYYDMNY-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18N2O7.2Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;/q;2*+1/p-2.
What are the key properties of disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate?
disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate has a molecular weight of 322.23 g/mol, XLogP of -10.82, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 56841718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).