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

C13H26N2O3 — CID 21333166

IUPAC1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
SMILESCCC(=O)OC(C)N1CCC(OCCN(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-5-13(16)18-11(2)15-7-6-12(10-15)17-9-8-14(3)4/h11-12H,5-10H2,1-4H3
InChIKeyUFYUUYFDAKEHEF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.94
Rot. Bonds7

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

1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate (PubChem CID 21333166) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
PubChem CID21333166
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate
SMILESCCC(=O)OC(C)N1CCC(OCCN(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-5-13(16)18-11(2)15-7-6-12(10-15)17-9-8-14(3)4/h11-12H,5-10H2,1-4H3
InChIKeyUFYUUYFDAKEHEF-UHFFFAOYSA-N
XLogP0.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate?
The IUPAC name of 1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate (CID 21333166) is 1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate is CCC(=O)OC(C)N1CCC(OCCN(C)C)C1.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate?
The InChIKey is UFYUUYFDAKEHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-13(16)18-11(2)15-7-6-12(10-15)17-9-8-14(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate?
1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate has a molecular weight of 258.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethoxy]pyrrolidin-1-yl]ethyl propanoate is sourced from PubChem (CID 21333166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).