tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate

C11H21NO3 — CID 130934257

IUPACtert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)C(C)O1
InChIInChI=1S/C11H21NO3/c1-7-6-9(8(2)14-7)12-10(13)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,13)
InChIKeyJPRDXBNYWHQYED-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.08
Rot. Bonds1

About tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate

tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate (PubChem CID 130934257) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate
PubChem CID130934257
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)C(C)O1
InChIInChI=1S/C11H21NO3/c1-7-6-9(8(2)14-7)12-10(13)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,13)
InChIKeyJPRDXBNYWHQYED-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate 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 N-(2,5-dimethyloxolan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate (CID 130934257) is tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate is CC1CC(NC(=O)OC(C)(C)C)C(C)O1.
What is the InChIKey of tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate?
The InChIKey is JPRDXBNYWHQYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-6-9(8(2)14-7)12-10(13)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate?
tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,5-dimethyloxolan-3-yl)carbamate is sourced from PubChem (CID 130934257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).