2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium

C11H27N2O6+ — CID 142879742

IUPAC2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
SMILESC[NH3+].NCCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C10H21NO6.CH5N/c11-1-2-14-3-4-15-5-6-16-7-8-17-9-10(12)13;1-2/h1-9,11H2,(H,12,13);2H2,1H3/p+1
InChIKeyBOZUFSCVVVMCPP-UHFFFAOYSA-O
MW283.34 g/mol
LogP-2.05
Rot. Bonds13

About 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium

2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium (PubChem CID 142879742) has the molecular formula C11H27N2O6+ and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium.

Molecular Properties

Compound Name2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
PubChem CID142879742
Molecular FormulaC11H27N2O6+
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
SMILESC[NH3+].NCCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C10H21NO6.CH5N/c11-1-2-14-3-4-15-5-6-16-7-8-17-9-10(12)13;1-2/h1-9,11H2,(H,12,13);2H2,1H3/p+1
InChIKeyBOZUFSCVVVMCPP-UHFFFAOYSA-O
XLogP-2.05
TPSA127.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid
CID 167072138
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 23086951
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 126843434
4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 175454355
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium?
The IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium (CID 142879742) is 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium.
What is the SMILES notation for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium?
The canonical SMILES for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium is C[NH3+].NCCOCCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium?
The InChIKey is BOZUFSCVVVMCPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO6.CH5N/c11-1-2-14-3-4-15-5-6-16-7-8-17-9-10(12)13;1-2/h1-9,11H2,(H,12,13);2H2,1H3/p+1.
What are the key properties of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium?
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium has a molecular weight of 283.34 g/mol, XLogP of -2.05, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium is sourced from PubChem (CID 142879742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).