ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate

C12H21NO3 — CID 64529202

IUPACethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCCC2)CCOC1
InChIInChI=1S/C12H21NO3/c1-2-16-11(14)9-12(5-8-15-10-12)13-6-3-4-7-13/h2-10H2,1H3
InChIKeyNRECRWFNBXKXQX-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.19
Rot. Bonds4

About ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate

ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate (PubChem CID 64529202) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate
PubChem CID64529202
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate
SMILESCCOC(=O)CC1(N2CCCC2)CCOC1
InChIInChI=1S/C12H21NO3/c1-2-16-11(14)9-12(5-8-15-10-12)13-6-3-4-7-13/h2-10H2,1H3
InChIKeyNRECRWFNBXKXQX-UHFFFAOYSA-N
XLogP1.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate?
The IUPAC name of ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate (CID 64529202) is ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate is CCOC(=O)CC1(N2CCCC2)CCOC1.
What is the InChIKey of ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate?
The InChIKey is NRECRWFNBXKXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-16-11(14)9-12(5-8-15-10-12)13-6-3-4-7-13/h2-10H2,1H3.
What are the key properties of ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate?
ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate has a molecular weight of 227.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-pyrrolidin-1-yloxolan-3-yl)acetate is sourced from PubChem (CID 64529202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).