methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate

C11H21NO4 — CID 102607468

IUPACmethyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate
SMILESCCNC(C)(CCOC1COC1)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-4-12-11(2,10(13)14-3)5-6-16-9-7-15-8-9/h9,12H,4-8H2,1-3H3
InChIKeyOSZTWKGXTIYNKW-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.33
Rot. Bonds7

About methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate

methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate (PubChem CID 102607468) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate
PubChem CID102607468
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate
SMILESCCNC(C)(CCOC1COC1)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-4-12-11(2,10(13)14-3)5-6-16-9-7-15-8-9/h9,12H,4-8H2,1-3H3
InChIKeyOSZTWKGXTIYNKW-UHFFFAOYSA-N
XLogP0.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate
CID 102607628
ethyl 2-(ethylamino)-2-methyl-3-(oxetan-3-yloxy)propanoate
CID 102607480
methyl 2-methyl-6-(oxetan-3-yloxy)-2-(propan-2-ylamino)hexanoate
CID 102607425
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
ethyl 2-methyl-5-(oxetan-3-yloxy)-2-(propylamino)pentanoate
CID 102607567
methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666755
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 106807173
2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 102607418
methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66369800
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)butanoate
CID 114342006
methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate
CID 63557500
methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate
CID 103284956

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate (CID 102607468) is methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate is CCNC(C)(CCOC1COC1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate?
The InChIKey is OSZTWKGXTIYNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-12-11(2,10(13)14-3)5-6-16-9-7-15-8-9/h9,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate?
methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate has a molecular weight of 231.29 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate is sourced from PubChem (CID 102607468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).