2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate

C12H23NO2 — CID 106203022

IUPAC2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate
SMILESCCNCC(C)C(=O)OCCC1CCC1
InChIInChI=1S/C12H23NO2/c1-3-13-9-10(2)12(14)15-8-7-11-5-4-6-11/h10-11,13H,3-9H2,1-2H3
InChIKeyDXLFQCCKIJDFPE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.97
Rot. Bonds7

About 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate

2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate (PubChem CID 106203022) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Name2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate
PubChem CID106203022
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate
SMILESCCNCC(C)C(=O)OCCC1CCC1
InChIInChI=1S/C12H23NO2/c1-3-13-9-10(2)12(14)15-8-7-11-5-4-6-11/h10-11,13H,3-9H2,1-2H3
InChIKeyDXLFQCCKIJDFPE-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Alanine, N-isobutyryl-, hexyl ester
CID 91691936
Hexyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551219
2-Ethylhexyl 3-(propan-2-ylamino)propanoate
CID 53705244
3-[[3-(2-Ethylhexoxy)-3-oxopropyl]amino]propanoic acid
CID 54386795
Butyl 3-(2-ethylhexyl)aminopropanoate
CID 58898492
[2-Methyl-3-(methylamino)propyl] 3-methylpentanoate
CID 59450114
2-Ethylhexyl 3-(ethylamino)propanoate
CID 62328486
Ethyl 2-[1-(propan-2-ylamino)cyclobutyl]acetate
CID 89959719
2-Cyclopropylethyl 3-(methylamino)propanoate
CID 106202569
2-Ethylhexyl 3-(butylamino)propanoate
CID 121360276
2-Ethylhexyl 3-(2-ethylhexylamino)propanoate
CID 140304925
2-Ethylhexyl 3-(propylamino)propanoate
CID 140304937

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate?
The IUPAC name of 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate (CID 106203022) is 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate?
The canonical SMILES for 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate is CCNCC(C)C(=O)OCCC1CCC1.
What is the InChIKey of 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate?
The InChIKey is DXLFQCCKIJDFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13-9-10(2)12(14)15-8-7-11-5-4-6-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate?
2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate has a molecular weight of 213.32 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 3-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 106203022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).