sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid

C8H18NNaO6 — CID 174822992

IUPACsodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid
SMILESC=CC(=O)O.OCCONOCCO.[CH3-].[Na+]
InChIInChI=1S/C4H11NO4.C3H4O2.CH3.Na/c6-1-3-8-5-9-4-2-7;1-2-3(4)5;;/h5-7H,1-4H2;2H,1H2,(H,4,5);1H3;/q;;-1;+1
InChIKeyXDNKUUNZDSTTDR-UHFFFAOYSA-N
MW247.22 g/mol
LogP-3.86
Rot. Bonds7

About sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid

sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid (PubChem CID 174822992) has the molecular formula C8H18NNaO6 and a molecular weight of 247.22 g/mol. Its IUPAC name is sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid.

Molecular Properties

Compound Namesodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid
PubChem CID174822992
Molecular FormulaC8H18NNaO6
Molecular Weight247.22 g/mol
Exact Mass247.10
IUPAC Namesodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid
SMILESC=CC(=O)O.OCCONOCCO.[CH3-].[Na+]
InChIInChI=1S/C4H11NO4.C3H4O2.CH3.Na/c6-1-3-8-5-9-4-2-7;1-2-3(4)5;;/h5-7H,1-4H2;2H,1H2,(H,4,5);1H3;/q;;-1;+1
InChIKeyXDNKUUNZDSTTDR-UHFFFAOYSA-N
XLogP-3.86
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 5-3.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol
CID 87299347
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214
copper;2-(2-hydroxyethoxyamino)oxyethanol
CID 87653239
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
2-methoxyethanol;prop-2-enoic acid;titanium
CID 22899396
calcium;ethane-1,2-diol;hydride;prop-2-enoic acid
CID 174540831
boric acid;2-(2-hydroxyethoxyamino)oxyethanol
CID 87087143
2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid
CID 88818934
2-aminoethanol;prop-2-enoic acid
CID 19812730

Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid?
The IUPAC name of sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid (CID 174822992) is sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid.
What is the SMILES notation for sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid?
The canonical SMILES for sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid is C=CC(=O)O.OCCONOCCO.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid?
The InChIKey is XDNKUUNZDSTTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4.C3H4O2.CH3.Na/c6-1-3-8-5-9-4-2-7;1-2-3(4)5;;/h5-7H,1-4H2;2H,1H2,(H,4,5);1H3;/q;;-1;+1.
What are the key properties of sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid?
sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid has a molecular weight of 247.22 g/mol, XLogP of -3.86, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid is sourced from PubChem (CID 174822992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).