tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

C13H22N2O5 — CID 68501371

IUPACtert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N2CCOC2=O)[C@@H](O)C1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-11(17)14-5-4-9(10(16)8-14)15-6-7-19-12(15)18/h9-10,16H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyJQFVGEOWUJSYOP-UWVGGRQHSA-N
MW286.33 g/mol
LogP0.81
Rot. Bonds1

About tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (PubChem CID 68501371) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
PubChem CID68501371
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Nametert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N2CCOC2=O)[C@@H](O)C1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-11(17)14-5-4-9(10(16)8-14)15-6-7-19-12(15)18/h9-10,16H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyJQFVGEOWUJSYOP-UWVGGRQHSA-N
XLogP0.81
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

1-Boc-3-hydroxypiperidine
CID 545699
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 1514399
(R)-1-Boc-3-hydroxypiperidine
CID 1514398
tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97357242
Tert-butyl 5-hydroxy-2-methylpiperidine-1-carboxylate
CID 68434339
rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
CID 10727458
tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 11008972
tert-Butyl 4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 14117009
tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 14117010
tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 56846373
1,1-Dimethylethyl (2R,4S)-4-hydroxy-2-methyl-1-pyrrolidinecarboxylate
CID 60010001
(3S,4R)-tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylate
CID 67372954

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (CID 68501371) is tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N2CCOC2=O)[C@@H](O)C1.
What is the InChIKey of tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The InChIKey is JQFVGEOWUJSYOP-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(2,3)20-11(17)14-5-4-9(10(16)8-14)15-6-7-19-12(15)18/h9-10,16H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68501371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).