(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate

C20H33NO3 — CID 71897475

IUPAC(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
SMILESCC1C(OC(=O)C2CCCN2C(=O)C(C)(C)C)CC2CC1C2(C)C
InChIInChI=1S/C20H33NO3/c1-12-14-10-13(20(14,5)6)11-16(12)24-17(22)15-8-7-9-21(15)18(23)19(2,3)4/h12-16H,7-11H2,1-6H3
InChIKeyLGQDRBDOQFLUIS-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.64
Rot. Bonds2

About (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate

(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 71897475) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID71897475
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
SMILESCC1C(OC(=O)C2CCCN2C(=O)C(C)(C)C)CC2CC1C2(C)C
InChIInChI=1S/C20H33NO3/c1-12-14-10-13(20(14,5)6)11-16(12)24-17(22)15-8-7-9-21(15)18(23)19(2,3)4/h12-16H,7-11H2,1-6H3
InChIKeyLGQDRBDOQFLUIS-UHFFFAOYSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-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 (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate (CID 71897475) is (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate is CC1C(OC(=O)C2CCCN2C(=O)C(C)(C)C)CC2CC1C2(C)C.
What is the InChIKey of (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is LGQDRBDOQFLUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-12-14-10-13(20(14,5)6)11-16(12)24-17(22)15-8-7-9-21(15)18(23)19(2,3)4/h12-16H,7-11H2,1-6H3.
What are the key properties of (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate?
(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 335.49 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 71897475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).