sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate

C8H15N2NaO4 — CID 158747467

IUPACsodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate
SMILESCC(=O)NCCN(CCO)CC(=O)[O-].[Na+]
InChIInChI=1S/C8H16N2O4.Na/c1-7(12)9-2-3-10(4-5-11)6-8(13)14;/h11H,2-6H2,1H3,(H,9,12)(H,13,14);/q;+1/p-1
InChIKeyVISINIGRBYPYDW-UHFFFAOYSA-M
MW226.21 g/mol
LogP-5.83
Rot. Bonds7

About sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate

sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate (PubChem CID 158747467) has the molecular formula C8H15N2NaO4 and a molecular weight of 226.21 g/mol. Its IUPAC name is sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate
PubChem CID158747467
Molecular FormulaC8H15N2NaO4
Molecular Weight226.21 g/mol
Exact Mass226.09
IUPAC Namesodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate
SMILESCC(=O)NCCN(CCO)CC(=O)[O-].[Na+]
InChIInChI=1S/C8H16N2O4.Na/c1-7(12)9-2-3-10(4-5-11)6-8(13)14;/h11H,2-6H2,1H3,(H,9,12)(H,13,14);/q;+1/p-1
InChIKeyVISINIGRBYPYDW-UHFFFAOYSA-M
XLogP-5.83
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-5.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-acetamidoethyl(hydroxymethyl)amino]acetate
CID 20708503
disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate
CID 6454342
potassium 2-[bis(2-hydroxyethyl)amino]acetate
CID 156705178
sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate
CID 23668680
sodium 2-[2-hydroxyethyl-[2-(undecanoylamino)ethyl]amino]acetate
CID 141154076
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate
CID 91886533
disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
CID 173463557
sodium 2-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]acetate
CID 57356269
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide
CID 142305680
sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
CID 158616989

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate?
The IUPAC name of sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate (CID 158747467) is sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate.
What is the SMILES notation for sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate?
The canonical SMILES for sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate is CC(=O)NCCN(CCO)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate?
The InChIKey is VISINIGRBYPYDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N2O4.Na/c1-7(12)9-2-3-10(4-5-11)6-8(13)14;/h11H,2-6H2,1H3,(H,9,12)(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate?
sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate has a molecular weight of 226.21 g/mol, XLogP of -5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate is sourced from PubChem (CID 158747467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).