tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate

C13H23NO4 — CID 138468022

IUPACtert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESCC(=O)C[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-9(15)7-10-5-6-11(16)8-14(10)12(17)18-13(2,3)4/h10-11,16H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyCUQGEHLFBRVYSO-GHMZBOCLSA-N
MW257.33 g/mol
LogP1.73
Rot. Bonds2

About tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate

tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate (PubChem CID 138468022) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate
PubChem CID138468022
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESCC(=O)C[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-9(15)7-10-5-6-11(16)8-14(10)12(17)18-13(2,3)4/h10-11,16H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyCUQGEHLFBRVYSO-GHMZBOCLSA-N
XLogP1.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate (CID 138468022) is tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate is CC(=O)C[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate?
The InChIKey is CUQGEHLFBRVYSO-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(15)7-10-5-6-11(16)8-14(10)12(17)18-13(2,3)4/h10-11,16H,5-8H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate?
tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-5-hydroxy-2-(2-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 138468022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).