tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate

C12H18N2O3 — CID 140527519

IUPACtert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ncccc1O
InChIInChI=1S/C12H18N2O3/c1-8(10-9(15)6-5-7-13-10)14-11(16)17-12(2,3)4/h5-8,15H,1-4H3,(H,14,16)
InChIKeyCEYLWSARKHZQOA-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.37
Rot. Bonds2

About tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate

tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate (PubChem CID 140527519) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
PubChem CID140527519
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1ncccc1O
InChIInChI=1S/C12H18N2O3/c1-8(10-9(15)6-5-7-13-10)14-11(16)17-12(2,3)4/h5-8,15H,1-4H3,(H,14,16)
InChIKeyCEYLWSARKHZQOA-UHFFFAOYSA-N
XLogP2.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethyl]carbamate
CID 172741939
tert-butyl N-[1-(1,8-naphthyridin-2-yl)ethyl]carbamate
CID 57185264
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 125458568
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
(2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 125457933
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
tert-butyl N-[1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethyl]carbamate;1-(3-pyridin-2-yl-1,6-naphthyridin-2-yl)ethanamine
CID 161269157
tert-butyl N-[1-[3-(4-iodophenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]carbamate
CID 67202354
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate (CID 140527519) is tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1ncccc1O.
What is the InChIKey of tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate?
The InChIKey is CEYLWSARKHZQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(10-9(15)6-5-7-13-10)14-11(16)17-12(2,3)4/h5-8,15H,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate?
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate is sourced from PubChem (CID 140527519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).