tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate

C11H21NO3 — CID 58432680

IUPACtert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]1(C)CO
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-5-6-11(12,4)8-13/h13H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyVTUUHTGTUIJRSA-LLVKDONJSA-N
MW215.29 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate

tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate (PubChem CID 58432680) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
PubChem CID58432680
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]1(C)CO
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-5-6-11(12,4)8-13/h13H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyVTUUHTGTUIJRSA-LLVKDONJSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate (CID 58432680) is tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@]1(C)CO.
What is the InChIKey of tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate?
The InChIKey is VTUUHTGTUIJRSA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-5-6-11(12,4)8-13/h13H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 58432680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).