tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate

C11H21NO3 — CID 67085705

IUPACtert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)C1CO
InChIInChI=1S/C11H21NO3/c1-8-5-6-12(9(8)7-13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyFPUBEXOAVGKKCY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.62
Rot. Bonds1

About tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate

tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 67085705) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
PubChem CID67085705
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)C1CO
InChIInChI=1S/C11H21NO3/c1-8-5-6-12(9(8)7-13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyFPUBEXOAVGKKCY-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl 3-ethynyl-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 91539868
tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11276298
tert-butyl 2-(3-ethoxy-3-oxopropyl)-3-methylpyrrolidine-1-carboxylate
CID 86617953
2-methylpropyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102785992
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl (2S,3S)-2-(3-hydroxyprop-1-enyl)-3-methylpyrrolidine-1-carboxylate
CID 91342060
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate (CID 67085705) is tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate is CC1CCN(C(=O)OC(C)(C)C)C1CO.
What is the InChIKey of tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is FPUBEXOAVGKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-5-6-12(9(8)7-13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 67085705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).