4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one

C12H19NO4 — CID 67949231

IUPAC4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one
SMILESCC(C)(C)N(C1COC(=O)C1)C1COC(=O)C1
InChIInChI=1S/C12H19NO4/c1-12(2,3)13(8-4-10(14)16-6-8)9-5-11(15)17-7-9/h8-9H,4-7H2,1-3H3
InChIKeyIZNUGVFZONTYPA-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.72
Rot. Bonds2

About 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one

4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one (PubChem CID 67949231) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one.

Molecular Properties

Compound Name4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one
PubChem CID67949231
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one
SMILESCC(C)(C)N(C1COC(=O)C1)C1COC(=O)C1
InChIInChI=1S/C12H19NO4/c1-12(2,3)13(8-4-10(14)16-6-8)9-5-11(15)17-7-9/h8-9H,4-7H2,1-3H3
InChIKeyIZNUGVFZONTYPA-UHFFFAOYSA-N
XLogP0.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one?
The IUPAC name of 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one (CID 67949231) is 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one.
What is the SMILES notation for 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one?
The canonical SMILES for 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one is CC(C)(C)N(C1COC(=O)C1)C1COC(=O)C1.
What is the InChIKey of 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one?
The InChIKey is IZNUGVFZONTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2,3)13(8-4-10(14)16-6-8)9-5-11(15)17-7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one?
4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one has a molecular weight of 241.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl-(5-oxooxolan-3-yl)amino]oxolan-2-one is sourced from PubChem (CID 67949231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).