Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate

Name: Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₅NO₃ — CID 65166216

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate

SMILESCCCN(CCC1CCCO1)CC(=O)OCC

InChIInChI=1S/C13H25NO3/c1-3-8-14(11-13(15)16-4-2)9-7-12-6-5-10-17-12/h12H,3-11H2,1-2H3

InChIKeyPGCNKVAMMPQJLS-UHFFFAOYSA-N

MW243.35 g/mol

LogP1.83

Rot. Bonds8

About Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate

Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate (PubChem CID 65166216) has the molecular formula C₁₃H₂₅NO₃ and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate.

Molecular Properties

Compound Name	Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
PubChem CID	65166216
Molecular Formula	C₁₃H₂₅NO₃
Molecular Weight	243.35 g/mol
Exact Mass	243.18
IUPAC Name	ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
SMILES	CCCN(CCC1CCCO1)CC(=O)OCC
InChI	InChI=1S/C13H25NO3/c1-3-8-14(11-13(15)16-4-2)9-7-12-6-5-10-17-12/h12H,3-11H2,1-2H3
InChIKey	PGCNKVAMMPQJLS-UHFFFAOYSA-N
XLogP	1.83
TPSA	38.77 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.35
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate?

The IUPAC name of Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate (CID 65166216) is ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate.

What is the SMILES notation for Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate?

The canonical SMILES for Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate is CCCN(CCC1CCCO1)CC(=O)OCC.

What is the InChIKey of Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate?

The InChIKey is PGCNKVAMMPQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-8-14(11-13(15)16-4-2)9-7-12-6-5-10-17-12/h12H,3-11H2,1-2H3.

What are the key properties of Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate?

Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate has a molecular weight of 243.35 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate is sourced from PubChem (CID 65166216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 65166216 — identifiers, structure, computed properties (public domain)

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