tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate

C12H18N2O3 — CID 129375181

IUPACtert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)c1ccncc1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-8-10(15)9-4-6-13-7-5-9/h4-7,10,15H,8H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyLQGFGQUQXQBBNO-JTQLQIEISA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds3

About tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate

tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate (PubChem CID 129375181) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
PubChem CID129375181
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](O)c1ccncc1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-8-10(15)9-4-6-13-7-5-9/h4-7,10,15H,8H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyLQGFGQUQXQBBNO-JTQLQIEISA-N
XLogP1.64
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 23586222
tert-butyl N-[(2S)-2-hydroxy-2-(4-iodophenyl)ethyl]carbamate
CID 51441490
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate
CID 175783177
tert-butyl N-(1-pyridin-4-ylethylamino)carbamate
CID 16732605
tert-butyl N-[2-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxyethyl]carbamate
CID 71665188
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]carbamate
CID 99867079
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid
CID 59864496
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid
CID 59864494
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
CID 116861139

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate (CID 129375181) is tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](O)c1ccncc1.
What is the InChIKey of tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate?
The InChIKey is LQGFGQUQXQBBNO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-8-10(15)9-4-6-13-7-5-9/h4-7,10,15H,8H2,1-3H3,(H,14,16)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate?
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate is sourced from PubChem (CID 129375181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).