tert-butyl 3-pyrrolidin-1-ylpropanoate

C11H21NO2 — CID 58373705

IUPACtert-butyl 3-pyrrolidin-1-ylpropanoate
SMILESCC(C)(C)OC(=O)CCN1CCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)6-9-12-7-4-5-8-12/h4-9H2,1-3H3
InChIKeyNRQJSCPDTLVUSR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds3

About tert-butyl 3-pyrrolidin-1-ylpropanoate

tert-butyl 3-pyrrolidin-1-ylpropanoate (PubChem CID 58373705) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Nametert-butyl 3-pyrrolidin-1-ylpropanoate
PubChem CID58373705
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 3-pyrrolidin-1-ylpropanoate
SMILESCC(C)(C)OC(=O)CCN1CCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)6-9-12-7-4-5-8-12/h4-9H2,1-3H3
InChIKeyNRQJSCPDTLVUSR-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-pyrrolidin-1-ylpropanoate 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 tert-butyl 3-pyrrolidin-1-ylpropanoate?
The IUPAC name of tert-butyl 3-pyrrolidin-1-ylpropanoate (CID 58373705) is tert-butyl 3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for tert-butyl 3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for tert-butyl 3-pyrrolidin-1-ylpropanoate is CC(C)(C)OC(=O)CCN1CCCC1.
What is the InChIKey of tert-butyl 3-pyrrolidin-1-ylpropanoate?
The InChIKey is NRQJSCPDTLVUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)6-9-12-7-4-5-8-12/h4-9H2,1-3H3.
What are the key properties of tert-butyl 3-pyrrolidin-1-ylpropanoate?
tert-butyl 3-pyrrolidin-1-ylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 58373705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).