tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate

C11H21NO4 — CID 11276298

IUPACtert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](O)[C@@H]1CO
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-6-4-5-9(14)8(12)7-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyZKEONVKQWLDESS-DTWKUNHWSA-N
MW231.29 g/mol
LogP0.74
Rot. Bonds1

About tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 11276298) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID11276298
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](O)[C@@H]1CO
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-6-4-5-9(14)8(12)7-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyZKEONVKQWLDESS-DTWKUNHWSA-N
XLogP0.74
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl (2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxypiperidine-1-carboxylate
CID 11845978
tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate
CID 163245918
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypiperidine-1-carboxylate
CID 11845979
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 83488189
tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 83487199
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
1-O-tert-butyl 2-O-ethyl (2S,3S)-3-hydroxypiperidine-1,2-dicarboxylate
CID 11184884
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate (CID 11276298) is tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](O)[C@@H]1CO.
What is the InChIKey of tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is ZKEONVKQWLDESS-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-6-4-5-9(14)8(12)7-13/h8-9,13-14H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11276298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).