tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate

C12H18N2O3 — CID 10728628

IUPACtert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1ccccn1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10(8-15)9-6-4-5-7-13-9/h4-7,10,15H,8H2,1-3H3,(H,14,16)
InChIKeyXBIQSQVGUPTBKF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds3

About tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate

tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate (PubChem CID 10728628) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
PubChem CID10728628
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)c1ccccn1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10(8-15)9-6-4-5-7-13-9/h4-7,10,15H,8H2,1-3H3,(H,14,16)
InChIKeyXBIQSQVGUPTBKF-UHFFFAOYSA-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

(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid
CID 124654287
tert-butyl N-[(2R,3S)-1-amino-1-oxo-3-pyridin-2-ylbutan-2-yl]carbamate
CID 129192624
tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
CID 151826390
tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 125181056
tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate
CID 70041530
tert-butyl N-[1-(1,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]carbamate
CID 167715077
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81402004
tert-butyl N-[1-(1H-imidazol-2-yl)-2-phenylethyl]carbamate
CID 76693816
tert-butyl 2-(phenylmethoxycarbonylamino)-2-pyridin-2-ylacetate
CID 133061507
tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 140747337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate (CID 10728628) is tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate is CC(C)(C)OC(=O)NC(CO)c1ccccn1.
What is the InChIKey of tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate?
The InChIKey is XBIQSQVGUPTBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10(8-15)9-6-4-5-7-13-9/h4-7,10,15H,8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate?
tert-butyl N-(2-hydroxy-1-pyridin-2-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-(2-hydroxy-1-pyridin-2-ylethyl)carbamate is sourced from PubChem (CID 10728628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).