sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate

C6H10NNaO5 — CID 23683239

IUPACsodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate
SMILESO=C([O-])CNCC(=O)OCCO.[Na+]
InChIInChI=1S/C6H11NO5.Na/c8-1-2-12-6(11)4-7-3-5(9)10;/h7-8H,1-4H2,(H,9,10);/q;+1/p-1
InChIKeyRYMLMWPVLAMVOE-UHFFFAOYSA-M
MW199.14 g/mol
LogP-6.13
Rot. Bonds6

About sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate

sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate (PubChem CID 23683239) has the molecular formula C6H10NNaO5 and a molecular weight of 199.14 g/mol. Its IUPAC name is sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namesodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate
PubChem CID23683239
Molecular FormulaC6H10NNaO5
Molecular Weight199.14 g/mol
Exact Mass199.05
IUPAC Namesodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate
SMILESO=C([O-])CNCC(=O)OCCO.[Na+]
InChIInChI=1S/C6H11NO5.Na/c8-1-2-12-6(11)4-7-3-5(9)10;/h7-8H,1-4H2,(H,9,10);/q;+1/p-1
InChIKeyRYMLMWPVLAMVOE-UHFFFAOYSA-M
XLogP-6.13
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-6.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate?
The IUPAC name of sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate (CID 23683239) is sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate.
What is the SMILES notation for sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate?
The canonical SMILES for sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate is O=C([O-])CNCC(=O)OCCO.[Na+].
What is the InChIKey of sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate?
The InChIKey is RYMLMWPVLAMVOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO5.Na/c8-1-2-12-6(11)4-7-3-5(9)10;/h7-8H,1-4H2,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate?
sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate has a molecular weight of 199.14 g/mol, XLogP of -6.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 23683239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).