tert-butyl 1,3-oxazolidine-4-carboxylate

C8H15NO3 — CID 139927361

IUPACtert-butyl 1,3-oxazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1COCN1
InChIInChI=1S/C8H15NO3/c1-8(2,3)12-7(10)6-4-11-5-9-6/h6,9H,4-5H2,1-3H3
InChIKeyARGNKOZBNTWIKE-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.27
Rot. Bonds1

About tert-butyl 1,3-oxazolidine-4-carboxylate

tert-butyl 1,3-oxazolidine-4-carboxylate (PubChem CID 139927361) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is tert-butyl 1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,3-oxazolidine-4-carboxylate
PubChem CID139927361
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nametert-butyl 1,3-oxazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1COCN1
InChIInChI=1S/C8H15NO3/c1-8(2,3)12-7(10)6-4-11-5-9-6/h6,9H,4-5H2,1-3H3
InChIKeyARGNKOZBNTWIKE-UHFFFAOYSA-N
XLogP0.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
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tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
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tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
tert-butyl 5-fluoropiperidine-2-carboxylate
CID 57018078
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420
tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
CID 96845258
tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
tert-butyl 4-hydroxyoxolane-3-carboxylate
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tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate
CID 171795451

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,3-oxazolidine-4-carboxylate?
The IUPAC name of tert-butyl 1,3-oxazolidine-4-carboxylate (CID 139927361) is tert-butyl 1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1,3-oxazolidine-4-carboxylate?
The canonical SMILES for tert-butyl 1,3-oxazolidine-4-carboxylate is CC(C)(C)OC(=O)C1COCN1.
What is the InChIKey of tert-butyl 1,3-oxazolidine-4-carboxylate?
The InChIKey is ARGNKOZBNTWIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)6-4-11-5-9-6/h6,9H,4-5H2,1-3H3.
What are the key properties of tert-butyl 1,3-oxazolidine-4-carboxylate?
tert-butyl 1,3-oxazolidine-4-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 139927361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).