tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C10H19NO3 — CID 54531405

IUPACtert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1(C)C
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-7-13-10(11,4)5/h6-7H2,1-5H3
InChIKeyYWVACISFUQOXPG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.99
Rot. Bonds

About tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 54531405) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID54531405
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1(C)C
InChIInChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-7-13-10(11,4)5/h6-7H2,1-5H3
InChIKeyYWVACISFUQOXPG-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-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 2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 54531405) is tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CCOC1(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YWVACISFUQOXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)14-8(12)11-6-7-13-10(11,4)5/h6-7H2,1-5H3.
What are the key properties of tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 54531405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).