2-propoxyethyl 2-(ethylamino)-2-methylpropanoate

C11H23NO3 — CID 63687075

IUPAC2-propoxyethyl 2-(ethylamino)-2-methylpropanoate
SMILESCCCOCCOC(=O)C(C)(C)NCC
InChIInChI=1S/C11H23NO3/c1-5-7-14-8-9-15-10(13)11(3,4)12-6-2/h12H,5-9H2,1-4H3
InChIKeyIKXPSMLGAPDDRM-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds8

About 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate

2-propoxyethyl 2-(ethylamino)-2-methylpropanoate (PubChem CID 63687075) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Name2-propoxyethyl 2-(ethylamino)-2-methylpropanoate
PubChem CID63687075
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-propoxyethyl 2-(ethylamino)-2-methylpropanoate
SMILESCCCOCCOC(=O)C(C)(C)NCC
InChIInChI=1S/C11H23NO3/c1-5-7-14-8-9-15-10(13)11(3,4)12-6-2/h12H,5-9H2,1-4H3
InChIKeyIKXPSMLGAPDDRM-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 2-(ethylamino)-2-methylpropanoate
CID 62821579
2-propoxyethyl 3-(tert-butylamino)propanoate
CID 63685785
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
CID 11038281
2-propoxyethyl 2-amino-3,3-dimethylbutanoate
CID 63687085
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate
CID 80555976
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071
methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
CID 63686600
2-[2-[2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylcarbamoyloxy]-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylcarbamoyloxymethyl]propanoyl]oxyethoxy]ethyl 2-methyl-3-(2-propoxyethylcarbamoyloxy)-2-(2-propoxyethylcarbamoyloxymethyl)propanoate
CID 90322172
methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate
CID 106487837

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate?
The IUPAC name of 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate (CID 63687075) is 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate is CCCOCCOC(=O)C(C)(C)NCC.
What is the InChIKey of 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate?
The InChIKey is IKXPSMLGAPDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-7-14-8-9-15-10(13)11(3,4)12-6-2/h12H,5-9H2,1-4H3.
What are the key properties of 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate?
2-propoxyethyl 2-(ethylamino)-2-methylpropanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 63687075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).