2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid

C12H22N2O5 — CID 59010826

IUPAC2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid
SMILESCCOC(C)OC(=O)C(C)(C)/N=N/C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-7-18-8(2)19-10(17)12(5,6)14-13-11(3,4)9(15)16/h8H,7H2,1-6H3,(H,15,16)/b14-13+
InChIKeyJCUUBIWEMCAWQH-BUHFOSPRSA-N
MW274.32 g/mol
LogP2.01
Rot. Bonds7

About 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid

2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid (PubChem CID 59010826) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid
PubChem CID59010826
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid
SMILESCCOC(C)OC(=O)C(C)(C)/N=N/C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-7-18-8(2)19-10(17)12(5,6)14-13-11(3,4)9(15)16/h8H,7H2,1-6H3,(H,15,16)/b14-13+
InChIKeyJCUUBIWEMCAWQH-BUHFOSPRSA-N
XLogP2.01
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid (CID 59010826) is 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid is CCOC(C)OC(=O)C(C)(C)/N=N/C(C)(C)C(=O)O.
What is the InChIKey of 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid?
The InChIKey is JCUUBIWEMCAWQH-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-7-18-8(2)19-10(17)12(5,6)14-13-11(3,4)9(15)16/h8H,7H2,1-6H3,(H,15,16)/b14-13+.
What are the key properties of 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid?
2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid is sourced from PubChem (CID 59010826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).