3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol

C9H17NO11 — CID 173447609

IUPAC3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol
SMILESO=C(O)COOC(=O)CC(=O)O.OCCONOCCO
InChIInChI=1S/C5H6O7.C4H11NO4/c6-3(7)1-5(10)12-11-2-4(8)9;6-1-3-8-5-9-4-2-7/h1-2H2,(H,6,7)(H,8,9);5-7H,1-4H2
InChIKeyXENBNZQXIUSIJE-UHFFFAOYSA-N
MW315.23 g/mol
LogP-2.56
Rot. Bonds11

About 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol

3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol (PubChem CID 173447609) has the molecular formula C9H17NO11 and a molecular weight of 315.23 g/mol. Its IUPAC name is 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol.

Molecular Properties

Compound Name3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol
PubChem CID173447609
Molecular FormulaC9H17NO11
Molecular Weight315.23 g/mol
Exact Mass315.08
IUPAC Name3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol
SMILESO=C(O)COOC(=O)CC(=O)O.OCCONOCCO
InChIInChI=1S/C5H6O7.C4H11NO4/c6-3(7)1-5(10)12-11-2-4(8)9;6-1-3-8-5-9-4-2-7/h1-2H2,(H,6,7)(H,8,9);5-7H,1-4H2
InChIKeyXENBNZQXIUSIJE-UHFFFAOYSA-N
XLogP-2.56
TPSA181.08 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol
CID 87299347
3-(2-carboxyacetyl)peroxy-3-oxopropanoic acid
CID 175368500
copper;2-(2-hydroxyethoxyamino)oxyethanol
CID 87653239
3-(2-ethoxy-2-oxoethyl)peroxy-3-oxopropanoic acid
CID 87583890
3-butylperoxy-3-oxopropanoic acid
CID 87528892
sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid
CID 174822992
boric acid;2-(2-hydroxyethoxyamino)oxyethanol
CID 87087143
2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid
CID 87407867
6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid
CID 88844301
triazanium;tris(4-(carboxymethylperoxy)-4-oxobutanoate)
CID 160721493
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylidenebutanedioic acid
CID 159631548
2-[2-[2-[2-(prop-1-en-2-yloxyamino)oxyethoxy]ethoxy]ethoxy]acetic acid
CID 126620150

Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol?
The IUPAC name of 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol (CID 173447609) is 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol.
What is the SMILES notation for 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol?
The canonical SMILES for 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol is O=C(O)COOC(=O)CC(=O)O.OCCONOCCO.
What is the InChIKey of 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol?
The InChIKey is XENBNZQXIUSIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O7.C4H11NO4/c6-3(7)1-5(10)12-11-2-4(8)9;6-1-3-8-5-9-4-2-7/h1-2H2,(H,6,7)(H,8,9);5-7H,1-4H2.
What are the key properties of 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol?
3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol has a molecular weight of 315.23 g/mol, XLogP of -2.56, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol is sourced from PubChem (CID 173447609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).