trisodium;2-aminoacetate;diacetate

C6H10NNa3O6 — CID 20975811

IUPACtrisodium;2-aminoacetate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].NCC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H5NO2.2C2H4O2.3Na/c3-1-2(4)5;2*1-2(3)4;;;/h1,3H2,(H,4,5);2*1H3,(H,3,4);;;/q;;;3*+1/p-3
InChIKeyQKUVCPSLBBFCQV-UHFFFAOYSA-K
MW261.12 g/mol
LogP-13.78
Rot. Bonds1

About trisodium;2-aminoacetate;diacetate

trisodium;2-aminoacetate;diacetate (PubChem CID 20975811) has the molecular formula C6H10NNa3O6 and a molecular weight of 261.12 g/mol. Its IUPAC name is trisodium;2-aminoacetate;diacetate.

Molecular Properties

Compound Nametrisodium;2-aminoacetate;diacetate
PubChem CID20975811
Molecular FormulaC6H10NNa3O6
Molecular Weight261.12 g/mol
Exact Mass261.02
IUPAC Nametrisodium;2-aminoacetate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].NCC(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H5NO2.2C2H4O2.3Na/c3-1-2(4)5;2*1-2(3)4;;;/h1,3H2,(H,4,5);2*1H3,(H,3,4);;;/q;;;3*+1/p-3
InChIKeyQKUVCPSLBBFCQV-UHFFFAOYSA-K
XLogP-13.78
TPSA146.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 5-13.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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tris(2-aminoacetate);copper
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trimagnesium;bis(2-aminoacetate);dicarbonate
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tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995
aluminum;tris(2-aminoacetate);tetrahydrochloride
CID 173183956
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
copper;bis(2-aminoacetate);hydrate
CID 139067245

Frequently Asked Questions

What is the IUPAC name of trisodium;2-aminoacetate;diacetate?
The IUPAC name of trisodium;2-aminoacetate;diacetate (CID 20975811) is trisodium;2-aminoacetate;diacetate.
What is the SMILES notation for trisodium;2-aminoacetate;diacetate?
The canonical SMILES for trisodium;2-aminoacetate;diacetate is CC(=O)[O-].CC(=O)[O-].NCC(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-aminoacetate;diacetate?
The InChIKey is QKUVCPSLBBFCQV-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H5NO2.2C2H4O2.3Na/c3-1-2(4)5;2*1-2(3)4;;;/h1,3H2,(H,4,5);2*1H3,(H,3,4);;;/q;;;3*+1/p-3.
What are the key properties of trisodium;2-aminoacetate;diacetate?
trisodium;2-aminoacetate;diacetate has a molecular weight of 261.12 g/mol, XLogP of -13.78, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-aminoacetate;diacetate is sourced from PubChem (CID 20975811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).