tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate

C11H22N2O2 — CID 83486126

IUPACtert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate
SMILESCNC1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-11(4,8-13)12-5/h12H,6-8H2,1-5H3
InChIKeyQCFFLBQTPVQWFZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds1

About tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate

tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate (PubChem CID 83486126) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate
PubChem CID83486126
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate
SMILESCNC1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-11(4,8-13)12-5/h12H,6-8H2,1-5H3
InChIKeyQCFFLBQTPVQWFZ-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-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 tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate (CID 83486126) is tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate is CNC1(C)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate?
The InChIKey is QCFFLBQTPVQWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-11(4,8-13)12-5/h12H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate?
tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 83486126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).