tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate

C11H21NO3 — CID 115268996

IUPACtert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CC1(C)C
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-8(13)6-11(12,4)5/h8,13H,6-7H2,1-5H3
InChIKeyQPFBIIJUYIPUBY-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.77
Rot. Bonds

About tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate

tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate (PubChem CID 115268996) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate
PubChem CID115268996
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CC1(C)C
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-8(13)6-11(12,4)5/h8,13H,6-7H2,1-5H3
InChIKeyQPFBIIJUYIPUBY-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate (CID 115268996) is tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)CC1(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate?
The InChIKey is QPFBIIJUYIPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-8(13)6-11(12,4)5/h8,13H,6-7H2,1-5H3.
What are the key properties of tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate?
tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 115268996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).