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

C7H12NNaO5 — CID 140993572

IUPACsodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate
SMILESCC(O)COC(=O)CNCC(=O)[O-].[Na+]
InChIInChI=1S/C7H13NO5.Na/c1-5(9)4-13-7(12)3-8-2-6(10)11;/h5,8-9H,2-4H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyQWYPJZOJQWKQAT-UHFFFAOYSA-M
MW213.16 g/mol
LogP-5.75
Rot. Bonds6

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

sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate (PubChem CID 140993572) has the molecular formula C7H12NNaO5 and a molecular weight of 213.16 g/mol. Its IUPAC name is sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namesodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate
PubChem CID140993572
Molecular FormulaC7H12NNaO5
Molecular Weight213.16 g/mol
Exact Mass213.06
IUPAC Namesodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate
SMILESCC(O)COC(=O)CNCC(=O)[O-].[Na+]
InChIInChI=1S/C7H13NO5.Na/c1-5(9)4-13-7(12)3-8-2-6(10)11;/h5,8-9H,2-4H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyQWYPJZOJQWKQAT-UHFFFAOYSA-M
XLogP-5.75
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 5-5.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tetrasodium bis(2-(carboxylatomethylamino)acetate)
CID 141397482
3-(2-hydroxypropoxy)-3-oxopropanoic acid
CID 58952816
hexakis(2-hydroxypropyl methyl carbonate);methane;hexakis(yttrium)
CID 157481977
diazanium;2-(carboxylatomethylamino)acetate
CID 18769481
2-hydroxypropyl 3-sulfanylpropanoate
CID 87339203
2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate
CID 23266850
tetrasodium;tetrakis(2-(carboxymethylamino)acetate)
CID 141289708
2-hydroxypropyl acetate;mercury
CID 174858394
lead(2+);bis(2-(2-oxopropylamino)acetate)
CID 87752603
disodium;2-(carboxymethylamino)acetate;2-(2,2-dihydroxyethylamino)acetate
CID 158196840
5-(2-hydroxypropoxy)-5-oxopentanoic acid
CID 88687077
1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
CID 155641970

Frequently Asked Questions

What is the IUPAC name of sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate?
The IUPAC name of sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate (CID 140993572) is sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate.
What is the SMILES notation for sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate?
The canonical SMILES for sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate is CC(O)COC(=O)CNCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate?
The InChIKey is QWYPJZOJQWKQAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO5.Na/c1-5(9)4-13-7(12)3-8-2-6(10)11;/h5,8-9H,2-4H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate?
sodium 2-[[2-(2-hydroxypropoxy)-2-oxoethyl]amino]acetate has a molecular weight of 213.16 g/mol, XLogP of -5.75, 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-hydroxypropoxy)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 140993572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).