ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate

C13H25NO3 — CID 64721136

IUPACethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OC1CCC1)NC
InChIInChI=1S/C13H25NO3/c1-5-16-12(15)13(3,14-4)9-10(2)17-11-7-6-8-11/h10-11,14H,5-9H2,1-4H3
InChIKeyAQKKCMHZDSRUJS-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds7

About ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate

ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate (PubChem CID 64721136) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
PubChem CID64721136
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OC1CCC1)NC
InChIInChI=1S/C13H25NO3/c1-5-16-12(15)13(3,14-4)9-10(2)17-11-7-6-8-11/h10-11,14H,5-9H2,1-4H3
InChIKeyAQKKCMHZDSRUJS-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate (CID 64721136) is ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CC(C)OC1CCC1)NC.
What is the InChIKey of ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate?
The InChIKey is AQKKCMHZDSRUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-16-12(15)13(3,14-4)9-10(2)17-11-7-6-8-11/h10-11,14H,5-9H2,1-4H3.
What are the key properties of ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate?
ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64721136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).