propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate

C11H21NO2 — CID 574504

IUPACpropan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCCN1C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)12-7-5-6-10(12)11(13)14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyGEZXXWSGDCCGQM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds3

About propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate

propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate (PubChem CID 574504) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate
PubChem CID574504
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCCN1C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)12-7-5-6-10(12)11(13)14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyGEZXXWSGDCCGQM-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 propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate 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 propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate (CID 574504) is propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate is CC(C)OC(=O)C1CCCN1C(C)C.
What is the InChIKey of propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate?
The InChIKey is GEZXXWSGDCCGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)12-7-5-6-10(12)11(13)14-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate?
propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate 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 propan-2-yl 1-propan-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 574504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).