tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate

C11H22N2O2 — CID 115300552

IUPACtert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
SMILESCNC1CCN(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-13-6-5-9(7-13)12-4/h9,12H,5-8H2,1-4H3
InChIKeyARZLZLMAOGZPKY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds3

About tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate

tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate (PubChem CID 115300552) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
PubChem CID115300552
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
SMILESCNC1CCN(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-13-6-5-9(7-13)12-4/h9,12H,5-8H2,1-4H3
InChIKeyARZLZLMAOGZPKY-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate (CID 115300552) is tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate is CNC1CCN(CC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate?
The InChIKey is ARZLZLMAOGZPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-13-6-5-9(7-13)12-4/h9,12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate?
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 115300552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).