ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate

C11H23NO3 — CID 65234325

IUPACethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate
SMILESCCNC(CC)(COC)CC(=O)OCC
InChIInChI=1S/C11H23NO3/c1-5-11(9-14-4,12-6-2)8-10(13)15-7-3/h12H,5-9H2,1-4H3
InChIKeyZJJKERSHADQZRK-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds8

About ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate

ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate (PubChem CID 65234325) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate
PubChem CID65234325
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate
SMILESCCNC(CC)(COC)CC(=O)OCC
InChIInChI=1S/C11H23NO3/c1-5-11(9-14-4,12-6-2)8-10(13)15-7-3/h12H,5-9H2,1-4H3
InChIKeyZJJKERSHADQZRK-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate?
The IUPAC name of ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate (CID 65234325) is ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate?
The canonical SMILES for ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate is CCNC(CC)(COC)CC(=O)OCC.
What is the InChIKey of ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate?
The InChIKey is ZJJKERSHADQZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-11(9-14-4,12-6-2)8-10(13)15-7-3/h12H,5-9H2,1-4H3.
What are the key properties of ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate?
ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)-3-(methoxymethyl)pentanoate is sourced from PubChem (CID 65234325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).