ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate

C13H25NO3 — CID 64527615

IUPACethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate
SMILESCCOC(=O)CC(CC)(COC)N1CCCC1
InChIInChI=1S/C13H25NO3/c1-4-13(11-16-3,10-12(15)17-5-2)14-8-6-7-9-14/h4-11H2,1-3H3
InChIKeyMSMTYLGOQKLWES-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.83
Rot. Bonds7

About ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate

ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate (PubChem CID 64527615) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate
PubChem CID64527615
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate
SMILESCCOC(=O)CC(CC)(COC)N1CCCC1
InChIInChI=1S/C13H25NO3/c1-4-13(11-16-3,10-12(15)17-5-2)14-8-6-7-9-14/h4-11H2,1-3H3
InChIKeyMSMTYLGOQKLWES-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate?
The IUPAC name of ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate (CID 64527615) is ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate.
What is the SMILES notation for ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate?
The canonical SMILES for ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate is CCOC(=O)CC(CC)(COC)N1CCCC1.
What is the InChIKey of ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate?
The InChIKey is MSMTYLGOQKLWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-13(11-16-3,10-12(15)17-5-2)14-8-6-7-9-14/h4-11H2,1-3H3.
What are the key properties of ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate?
ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxymethyl)-3-pyrrolidin-1-ylpentanoate is sourced from PubChem (CID 64527615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).