ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate

C11H23NO3 — CID 64540296

IUPACethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate
SMILESCCOC(=O)CC(CC)(COC)N(C)C
InChIInChI=1S/C11H23NO3/c1-6-11(9-14-5,12(3)4)8-10(13)15-7-2/h6-9H2,1-5H3
InChIKeyQGFIEFRTMMTDBC-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.30
Rot. Bonds7

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

ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate (PubChem CID 64540296) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate
PubChem CID64540296
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate
SMILESCCOC(=O)CC(CC)(COC)N(C)C
InChIInChI=1S/C11H23NO3/c1-6-11(9-14-5,12(3)4)8-10(13)15-7-2/h6-9H2,1-5H3
InChIKeyQGFIEFRTMMTDBC-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate?
The IUPAC name of ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate (CID 64540296) is ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate?
The canonical SMILES for ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate is CCOC(=O)CC(CC)(COC)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate?
The InChIKey is QGFIEFRTMMTDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-11(9-14-5,12(3)4)8-10(13)15-7-2/h6-9H2,1-5H3.
What are the key properties of ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate?
ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-3-(methoxymethyl)pentanoate is sourced from PubChem (CID 64540296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).