tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate

C10H20N2O4 — CID 141130030

IUPACtert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](O)N[C@H]1O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6-8,12-14H,4-5H2,1-3H3,(H,11,15)/t6-,7-,8-/m0/s1
InChIKeyLLDQPHPNDNQWDR-FXQIFTODSA-N
MW232.28 g/mol
LogP-0.10
Rot. Bonds1

About tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate

tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate (PubChem CID 141130030) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate
PubChem CID141130030
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@H](O)N[C@H]1O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6-8,12-14H,4-5H2,1-3H3,(H,11,15)/t6-,7-,8-/m0/s1
InChIKeyLLDQPHPNDNQWDR-FXQIFTODSA-N
XLogP-0.10
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate
CID 74787550
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate (CID 141130030) is tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC[C@H](O)N[C@H]1O.
What is the InChIKey of tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate?
The InChIKey is LLDQPHPNDNQWDR-FXQIFTODSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6-8,12-14H,4-5H2,1-3H3,(H,11,15)/t6-,7-,8-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate?
tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate has a molecular weight of 232.28 g/mol, XLogP of -0.10, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S,6S)-2,6-dihydroxypiperidin-3-yl]carbamate is sourced from PubChem (CID 141130030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).