tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate

C14H26N2O4 — CID 118070214

IUPACtert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate
SMILESCC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O4/c1-10(17)11(15-13(19)20-14(2,3)4)12(18)16-8-6-5-7-9-16/h10-11,17H,5-9H2,1-4H3,(H,15,19)/t10?,11-/m0/s1
InChIKeyWLOXQTZKYZZAIW-DTIOYNMSSA-N
MW286.37 g/mol
LogP1.27
Rot. Bonds3

About tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate

tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate (PubChem CID 118070214) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate
PubChem CID118070214
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate
SMILESCC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O4/c1-10(17)11(15-13(19)20-14(2,3)4)12(18)16-8-6-5-7-9-16/h10-11,17H,5-9H2,1-4H3,(H,15,19)/t10?,11-/m0/s1
InChIKeyWLOXQTZKYZZAIW-DTIOYNMSSA-N
XLogP1.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate (CID 118070214) is tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate is CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1.
What is the InChIKey of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate?
The InChIKey is WLOXQTZKYZZAIW-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(17)11(15-13(19)20-14(2,3)4)12(18)16-8-6-5-7-9-16/h10-11,17H,5-9H2,1-4H3,(H,15,19)/t10?,11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate?
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamate is sourced from PubChem (CID 118070214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).