butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol

C8H17NO8 — CID 87299347

IUPACbutanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol
SMILESO=C(O)CCC(=O)O.OCCONOCCO
InChIInChI=1S/C4H11NO4.C4H6O4/c6-1-3-8-5-9-4-2-7;5-3(6)1-2-4(7)8/h5-7H,1-4H2;1-2H2,(H,5,6)(H,7,8)
InChIKeyKTYUFJSOYKXZGN-UHFFFAOYSA-N
MW255.22 g/mol
LogP-1.64
Rot. Bonds9

About butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol

butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol (PubChem CID 87299347) has the molecular formula C8H17NO8 and a molecular weight of 255.22 g/mol. Its IUPAC name is butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol.

Molecular Properties

Compound Namebutanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol
PubChem CID87299347
Molecular FormulaC8H17NO8
Molecular Weight255.22 g/mol
Exact Mass255.10
IUPAC Namebutanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol
SMILESO=C(O)CCC(=O)O.OCCONOCCO
InChIInChI=1S/C4H11NO4.C4H6O4/c6-1-3-8-5-9-4-2-7;5-3(6)1-2-4(7)8/h5-7H,1-4H2;1-2H2,(H,5,6)(H,7,8)
InChIKeyKTYUFJSOYKXZGN-UHFFFAOYSA-N
XLogP-1.64
TPSA145.55 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

copper;2-(2-hydroxyethoxyamino)oxyethanol
CID 87653239
sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid
CID 174822992
boric acid;2-(2-hydroxyethoxyamino)oxyethanol
CID 87087143
3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol
CID 173447609
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
CID 172913435
CID 172913435
hexakis(butanedioic acid);ethane-1,2-diol;4-methoxy-4-oxobutanoic acid
CID 173361871
butanedioic acid;difluoromethane
CID 159584710
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
azane;butanedioic acid
CID 87070561

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol?
The IUPAC name of butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol (CID 87299347) is butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol.
What is the SMILES notation for butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol?
The canonical SMILES for butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol is O=C(O)CCC(=O)O.OCCONOCCO.
What is the InChIKey of butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol?
The InChIKey is KTYUFJSOYKXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4.C4H6O4/c6-1-3-8-5-9-4-2-7;5-3(6)1-2-4(7)8/h5-7H,1-4H2;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol?
butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol has a molecular weight of 255.22 g/mol, XLogP of -1.64, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol is sourced from PubChem (CID 87299347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).