tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate

C11H21NO2 — CID 171795451

IUPACtert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate
SMILESCC1CC(C(=O)OC(C)(C)C)N[C@@H]1C
InChIInChI=1S/C11H21NO2/c1-7-6-9(12-8(7)2)10(13)14-11(3,4)5/h7-9,12H,6H2,1-5H3/t7?,8-,9?/m1/s1
InChIKeyKADQVGOEDATENM-QJAFJHJLSA-N
MW199.29 g/mol
LogP1.71
Rot. Bonds1

About tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate

tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate (PubChem CID 171795451) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate
PubChem CID171795451
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate
SMILESCC1CC(C(=O)OC(C)(C)C)N[C@@H]1C
InChIInChI=1S/C11H21NO2/c1-7-6-9(12-8(7)2)10(13)14-11(3,4)5/h7-9,12H,6H2,1-5H3/t7?,8-,9?/m1/s1
InChIKeyKADQVGOEDATENM-QJAFJHJLSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 68644523
(4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 118312111
tert-butyl 6-methylpiperidine-2-carboxylate
CID 78131880
(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 71748131
tert-butyl (2S,4S)-4-methyl-5-oxopyrrolidine-2-carboxylate
CID 11820076
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl (2S,4S,6S)-4-hydroxy-6-propylpiperidine-2-carboxylate;hydrochloride
CID 72714047
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
6-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 90725204
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (4S,5R)-4-ethenyl-5-(oxiran-2-yl)pyrrolidine-2-carboxylate
CID 57059917

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate (CID 171795451) is tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate is CC1CC(C(=O)OC(C)(C)C)N[C@@H]1C.
What is the InChIKey of tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate?
The InChIKey is KADQVGOEDATENM-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-6-9(12-8(7)2)10(13)14-11(3,4)5/h7-9,12H,6H2,1-5H3/t7?,8-,9?/m1/s1.
What are the key properties of tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate?
tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 171795451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).