2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate

C13H26N2O3 — CID 13049043

IUPAC2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
SMILESCCC(=O)OCCN1CCC(OCCN(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-4-13(16)18-10-8-15-6-5-12(11-15)17-9-7-14(2)3/h12H,4-11H2,1-3H3
InChIKeyODFCJFBXIPVGLJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.59
Rot. Bonds8

About 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate

2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate (PubChem CID 13049043) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
PubChem CID13049043
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
SMILESCCC(=O)OCCN1CCC(OCCN(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-4-13(16)18-10-8-15-6-5-12(11-15)17-9-7-14(2)3/h12H,4-11H2,1-3H3
InChIKeyODFCJFBXIPVGLJ-UHFFFAOYSA-N
XLogP0.59
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate?
The IUPAC name of 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate (CID 13049043) is 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate.
What is the SMILES notation for 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate?
The canonical SMILES for 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate is CCC(=O)OCCN1CCC(OCCN(C)C)C1.
What is the InChIKey of 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate?
The InChIKey is ODFCJFBXIPVGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-13(16)18-10-8-15-6-5-12(11-15)17-9-7-14(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate?
2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate has a molecular weight of 258.36 g/mol, XLogP of 0.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate is sourced from PubChem (CID 13049043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).