tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate

C11H21NO3 — CID 130792843

IUPACtert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC1(C)O
InChIInChI=1S/C11H21NO3/c1-8-6-12(7-11(8,5)14)9(13)15-10(2,3)4/h8,14H,6-7H2,1-5H3
InChIKeyYSHFQGLESIRPQQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.62
Rot. Bonds

About tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate

tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate (PubChem CID 130792843) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
PubChem CID130792843
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC1(C)O
InChIInChI=1S/C11H21NO3/c1-8-6-12(7-11(8,5)14)9(13)15-10(2,3)4/h8,14H,6-7H2,1-5H3
InChIKeyYSHFQGLESIRPQQ-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate
CID 162451549
tert-butyl (3S,4R)-4-hydroxy-3,4-dimethylazepane-1-carboxylate
CID 124523450
tert-butyl (3R)-3-fluoro-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 138112305
tert-butyl (3S,4S)-3-amino-4-methyl-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 124634412
tert-butyl 8-hydroxy-8-methyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 162493694
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
tert-butyl 6-hydroxy-3,3-dimethylazepane-1-carboxylate
CID 155258945
(3S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 96896254
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 4-acetyloxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 155742097
tert-butyl (3R,5S)-4,4-difluoro-3-hydroxy-5-methylpiperidine-1-carboxylate
CID 167458306
tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate
CID 59605621

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate (CID 130792843) is tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC1(C)O.
What is the InChIKey of tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate?
The InChIKey is YSHFQGLESIRPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-6-12(7-11(8,5)14)9(13)15-10(2,3)4/h8,14H,6-7H2,1-5H3.
What are the key properties of tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate?
tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 130792843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).