methyl 4-cyclobutyloxy-2-(ethylamino)butanoate

C11H21NO3 — CID 63033180

IUPACmethyl 4-cyclobutyloxy-2-(ethylamino)butanoate
SMILESCCNC(CCOC1CCC1)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-3-12-10(11(13)14-2)7-8-15-9-5-4-6-9/h9-10,12H,3-8H2,1-2H3
InChIKeyCBKQBVRPVHVWFM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds7

About methyl 4-cyclobutyloxy-2-(ethylamino)butanoate

methyl 4-cyclobutyloxy-2-(ethylamino)butanoate (PubChem CID 63033180) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 4-cyclobutyloxy-2-(ethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-cyclobutyloxy-2-(ethylamino)butanoate
PubChem CID63033180
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 4-cyclobutyloxy-2-(ethylamino)butanoate
SMILESCCNC(CCOC1CCC1)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-3-12-10(11(13)14-2)7-8-15-9-5-4-6-9/h9-10,12H,3-8H2,1-2H3
InChIKeyCBKQBVRPVHVWFM-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cycloheptyloxy-2-(ethylamino)butanamide
CID 63040361
methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate
CID 55143758
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850
methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
CID 106204341
methyl 2-(ethylamino)-4-(4-methylpentoxy)butanoate
CID 63041531
ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
CID 102607501
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 114342050
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498
4-cycloheptyloxy-2-(propylamino)butanamide
CID 63039984

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclobutyloxy-2-(ethylamino)butanoate?
The IUPAC name of methyl 4-cyclobutyloxy-2-(ethylamino)butanoate (CID 63033180) is methyl 4-cyclobutyloxy-2-(ethylamino)butanoate.
What is the SMILES notation for methyl 4-cyclobutyloxy-2-(ethylamino)butanoate?
The canonical SMILES for methyl 4-cyclobutyloxy-2-(ethylamino)butanoate is CCNC(CCOC1CCC1)C(=O)OC.
What is the InChIKey of methyl 4-cyclobutyloxy-2-(ethylamino)butanoate?
The InChIKey is CBKQBVRPVHVWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12-10(11(13)14-2)7-8-15-9-5-4-6-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 4-cyclobutyloxy-2-(ethylamino)butanoate?
methyl 4-cyclobutyloxy-2-(ethylamino)butanoate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclobutyloxy-2-(ethylamino)butanoate is sourced from PubChem (CID 63033180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).