tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate

C11H21NO2 — CID 57366408

IUPACtert-butyl 2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2,3)14-9(13)12-8-6-7-11(12,4)5/h6-8H2,1-5H3
InChIKeyBQWREAOXJRHDQX-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.80
Rot. Bonds

About tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate

tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate (PubChem CID 57366408) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethylpyrrolidine-1-carboxylate
PubChem CID57366408
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2,3)14-9(13)12-8-6-7-11(12,4)5/h6-8H2,1-5H3
InChIKeyBQWREAOXJRHDQX-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
CID 545926
N-Boc-pyrrolidine
CID 643455
(R)-1-Boc-2-methylpyrrolidine
CID 1519407
(S)-N-Boc-2-methylpyrrolidine
CID 9794078
Tert-butyl 2-methylpyrrolidine-1-carboxylate
CID 10081260
Tert-butyl 1-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 134191664
tert-Butyl (2S,5S)-2,5-dimethylpyrrolidine-1-carboxylate
CID 71310640
Tert-butyl 1-(fluoromethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 165913115
Tert-butyl 2,5-dimethylpyrrolidine-1-carboxylate
CID 15587542
tert-Butyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
CID 51072209
Tert-butyl 2-(aminomethyl)-2-methylpyrrolidine-1-carboxylate
CID 58574758
tert-butyl (2S)-2-(aminomethyl)-2-methylpyrrolidine-1-carboxylate
CID 72208181

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate (CID 57366408) is tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1(C)C.
What is the InChIKey of tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate?
The InChIKey is BQWREAOXJRHDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)14-9(13)12-8-6-7-11(12,4)5/h6-8H2,1-5H3.
What are the key properties of tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate?
tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 57366408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).