(1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate

C13H20N2O3 — CID 174398090

IUPAC(1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CO)Cc1ccncc1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)15-12(17)18-11(9-16)8-10-4-6-14-7-5-10/h4-7,11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyHUWORIRVALQHPC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.51
Rot. Bonds4

About (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate

(1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate (PubChem CID 174398090) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate
PubChem CID174398090
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(CO)Cc1ccncc1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)15-12(17)18-11(9-16)8-10-4-6-14-7-5-10/h4-7,11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyHUWORIRVALQHPC-UHFFFAOYSA-N
XLogP1.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl] N-tert-butylcarbamate
CID 91246310
pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 54532018
[(2S)-1-azido-3-phenylpropan-2-yl] N-tert-butylcarbamate
CID 175041010
[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 175125810
tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate
CID 22747896
3,3-dimethyl-2-(pyridin-4-ylmethyl)butanoic acid
CID 83136840
methyl (2S)-2-(methoxycarbonylamino)-3-pyridin-4-ylpropanoate
CID 169081526
[1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate
CID 175256655
2-[[(2S)-2-amino-3-pyridin-4-ylpropanoyl]amino]-2-methylpropanoyl iodide
CID 175802703
6-hydroxyhexan-3-yl N-tert-butylcarbamate
CID 87693864
[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(3-iodophenyl)propan-2-yl] N-tert-butylcarbamate
CID 175168341

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate?
The IUPAC name of (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate (CID 174398090) is (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(CO)Cc1ccncc1.
What is the InChIKey of (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate?
The InChIKey is HUWORIRVALQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)15-12(17)18-11(9-16)8-10-4-6-14-7-5-10/h4-7,11,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate?
(1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate has a molecular weight of 252.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 174398090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).