2-methoxyacetic acid;tetrapropylazanium

C15H34NO3+ — CID 174750035

IUPAC2-methoxyacetic acid;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.COCC(=O)O
InChIInChI=1S/C12H28N.C3H6O3/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-6-2-3(4)5/h5-12H2,1-4H3;2H2,1H3,(H,4,5)/q+1;
InChIKeyVNCSZWNXMLBPQR-UHFFFAOYSA-N
MW276.44 g/mol
LogP3.16
Rot. Bonds10

About 2-methoxyacetic acid;tetrapropylazanium

2-methoxyacetic acid;tetrapropylazanium (PubChem CID 174750035) has the molecular formula C15H34NO3+ and a molecular weight of 276.44 g/mol. Its IUPAC name is 2-methoxyacetic acid;tetrapropylazanium.

Molecular Properties

Compound Name2-methoxyacetic acid;tetrapropylazanium
PubChem CID174750035
Molecular FormulaC15H34NO3+
Molecular Weight276.44 g/mol
Exact Mass276.25
IUPAC Name2-methoxyacetic acid;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.COCC(=O)O
InChIInChI=1S/C12H28N.C3H6O3/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-6-2-3(4)5/h5-12H2,1-4H3;2H2,1H3,(H,4,5)/q+1;
InChIKeyVNCSZWNXMLBPQR-UHFFFAOYSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxyacetic acid;titanium
CID 174298740
2-methoxyacetic acid;silver
CID 158784523
2-methoxyacetic acid;oxalic acid
CID 162328994
2-ethylpropanedioic acid;tetrapropylazanium
CID 87067032
2-chloroacetic acid;2-methoxyacetic acid
CID 162031776
2-methoxyacetic acid;oxaldehydic acid
CID 159112040
methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride
CID 91331782
azanium;tetrapropylazanium;diacetate
CID 161363764
ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
CID 159692110
3-methoxy-3-oxopropanoate;tetrapropylazanium
CID 159144193
2,2-diethylbutanoic acid;tetrapropylazanium
CID 160796850
3-(2-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219

Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetic acid;tetrapropylazanium?
The IUPAC name of 2-methoxyacetic acid;tetrapropylazanium (CID 174750035) is 2-methoxyacetic acid;tetrapropylazanium.
What is the SMILES notation for 2-methoxyacetic acid;tetrapropylazanium?
The canonical SMILES for 2-methoxyacetic acid;tetrapropylazanium is CCC[N+](CCC)(CCC)CCC.COCC(=O)O.
What is the InChIKey of 2-methoxyacetic acid;tetrapropylazanium?
The InChIKey is VNCSZWNXMLBPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N.C3H6O3/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-6-2-3(4)5/h5-12H2,1-4H3;2H2,1H3,(H,4,5)/q+1;.
What are the key properties of 2-methoxyacetic acid;tetrapropylazanium?
2-methoxyacetic acid;tetrapropylazanium has a molecular weight of 276.44 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetic acid;tetrapropylazanium is sourced from PubChem (CID 174750035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).