ethyl 3-pyrrolidin-1-ylbutanoate

C10H19NO2 — CID 24975275

IUPACethyl 3-pyrrolidin-1-ylbutanoate
SMILESCCOC(=O)CC(C)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyXOHFSJRAEGVBNY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds4

About ethyl 3-pyrrolidin-1-ylbutanoate

ethyl 3-pyrrolidin-1-ylbutanoate (PubChem CID 24975275) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 3-pyrrolidin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 3-pyrrolidin-1-ylbutanoate
PubChem CID24975275
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 3-pyrrolidin-1-ylbutanoate
SMILESCCOC(=O)CC(C)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyXOHFSJRAEGVBNY-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-pyrrolidin-1-ylbutanoate 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 3-pyrrolidin-1-ylbutanoate?
The IUPAC name of ethyl 3-pyrrolidin-1-ylbutanoate (CID 24975275) is ethyl 3-pyrrolidin-1-ylbutanoate.
What is the SMILES notation for ethyl 3-pyrrolidin-1-ylbutanoate?
The canonical SMILES for ethyl 3-pyrrolidin-1-ylbutanoate is CCOC(=O)CC(C)N1CCCC1.
What is the InChIKey of ethyl 3-pyrrolidin-1-ylbutanoate?
The InChIKey is XOHFSJRAEGVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-10(12)8-9(2)11-6-4-5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 3-pyrrolidin-1-ylbutanoate?
ethyl 3-pyrrolidin-1-ylbutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyrrolidin-1-ylbutanoate is sourced from PubChem (CID 24975275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).