bis(2-methoxyethyl)azanium;2-hydroxyacetate

C8H19NO5 — CID 87300456

IUPACbis(2-methoxyethyl)azanium;2-hydroxyacetate
SMILESCOCC[NH2+]CCOC.O=C([O-])CO
InChIInChI=1S/C6H15NO2.C2H4O3/c1-8-5-3-7-4-6-9-2;3-1-2(4)5/h7H,3-6H2,1-2H3;3H,1H2,(H,4,5)
InChIKeyKANXNNWQBIDKKP-UHFFFAOYSA-N
MW209.24 g/mol
LogP-3.43
Rot. Bonds7

About bis(2-methoxyethyl)azanium;2-hydroxyacetate

bis(2-methoxyethyl)azanium;2-hydroxyacetate (PubChem CID 87300456) has the molecular formula C8H19NO5 and a molecular weight of 209.24 g/mol. Its IUPAC name is bis(2-methoxyethyl)azanium;2-hydroxyacetate.

Molecular Properties

Compound Namebis(2-methoxyethyl)azanium;2-hydroxyacetate
PubChem CID87300456
Molecular FormulaC8H19NO5
Molecular Weight209.24 g/mol
Exact Mass209.13
IUPAC Namebis(2-methoxyethyl)azanium;2-hydroxyacetate
SMILESCOCC[NH2+]CCOC.O=C([O-])CO
InChIInChI=1S/C6H15NO2.C2H4O3/c1-8-5-3-7-4-6-9-2;3-1-2(4)5/h7H,3-6H2,1-2H3;3H,1H2,(H,4,5)
InChIKeyKANXNNWQBIDKKP-UHFFFAOYSA-N
XLogP-3.43
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 5-3.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrakis(bis(2-methoxyethyl)azanium)
CID 140529116
benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)
CID 67441557
2-hydroxyacetate;3-methoxypropylazanium
CID 87766207
tris(2-hydroxyacetate);iridium(3+)
CID 158441249
benzene-1,2,3-tricarboxylate;tris(bis(2-methoxyethyl)azanium)
CID 67180263
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
2-hydroxyacetate
CID 5460308
bis(2-methoxyethyl)azanium tetrafluoroborate
CID 87299857
dipotassium bis(2-hydroxyacetate)
CID 140653272
dysprosium(3+);tris(2-hydroxyacetate)
CID 158146925
2-hydroxyacetate;iron(2+)
CID 18504415
zinc bis(2-hydroxyacetate)
CID 15245444

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl)azanium;2-hydroxyacetate?
The IUPAC name of bis(2-methoxyethyl)azanium;2-hydroxyacetate (CID 87300456) is bis(2-methoxyethyl)azanium;2-hydroxyacetate.
What is the SMILES notation for bis(2-methoxyethyl)azanium;2-hydroxyacetate?
The canonical SMILES for bis(2-methoxyethyl)azanium;2-hydroxyacetate is COCC[NH2+]CCOC.O=C([O-])CO.
What is the InChIKey of bis(2-methoxyethyl)azanium;2-hydroxyacetate?
The InChIKey is KANXNNWQBIDKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C2H4O3/c1-8-5-3-7-4-6-9-2;3-1-2(4)5/h7H,3-6H2,1-2H3;3H,1H2,(H,4,5).
What are the key properties of bis(2-methoxyethyl)azanium;2-hydroxyacetate?
bis(2-methoxyethyl)azanium;2-hydroxyacetate has a molecular weight of 209.24 g/mol, XLogP of -3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl)azanium;2-hydroxyacetate is sourced from PubChem (CID 87300456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).