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

C11H21NO4 — CID 102607501

IUPACethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
SMILESCCNC(CCOC1COC1)C(=O)OCC
InChIInChI=1S/C11H21NO4/c1-3-12-10(11(13)15-4-2)5-6-16-9-7-14-8-9/h9-10,12H,3-8H2,1-2H3
InChIKeyDUOCTACZLQZNLZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.33
Rot. Bonds8

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

ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate (PubChem CID 102607501) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
PubChem CID102607501
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
SMILESCCNC(CCOC1COC1)C(=O)OCC
InChIInChI=1S/C11H21NO4/c1-3-12-10(11(13)15-4-2)5-6-16-9-7-14-8-9/h9-10,12H,3-8H2,1-2H3
InChIKeyDUOCTACZLQZNLZ-UHFFFAOYSA-N
XLogP0.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate
CID 102607607
2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63558292
ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
CID 55214308
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
methyl 4-cyclobutyloxy-2-(ethylamino)butanoate
CID 63033180
ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
CID 79326682
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
ethyl 4-cyclohexyloxy-2-(methylamino)butanoate
CID 55142810
4-cycloheptyloxy-2-(ethylamino)butanamide
CID 63040361
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
ethyl 2-(oxetan-3-yloxy)pentanoate
CID 102605335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate (CID 102607501) is ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate is CCNC(CCOC1COC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate?
The InChIKey is DUOCTACZLQZNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-12-10(11(13)15-4-2)5-6-16-9-7-14-8-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate?
ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate has a molecular weight of 231.29 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate is sourced from PubChem (CID 102607501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).