pyridin-4-ylmethyl N-tert-butylcarbamate

C11H16N2O2 — CID 59402004

IUPACpyridin-4-ylmethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1ccncc1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)13-10(14)15-8-9-4-6-12-7-5-9/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyYXSXSGFMNWHZTN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.11
Rot. Bonds2

About pyridin-4-ylmethyl N-tert-butylcarbamate

pyridin-4-ylmethyl N-tert-butylcarbamate (PubChem CID 59402004) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-tert-butylcarbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-tert-butylcarbamate
PubChem CID59402004
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namepyridin-4-ylmethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1ccncc1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)13-10(14)15-8-9-4-6-12-7-5-9/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyYXSXSGFMNWHZTN-UHFFFAOYSA-N
XLogP2.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-2-methyl-2-(pyridin-4-ylmethoxycarbonylamino)propanoic acid
CID 76807557
(4-acetamidophenyl)methyl N-tert-butylcarbamate
CID 155455042
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
pyrazin-2-ylmethyl N-tert-butylcarbamate
CID 174542549
(1-hydroxy-3-pyridin-4-ylpropan-2-yl) N-tert-butylcarbamate
CID 174398090
pyridin-4-ylmethyl N-[1-[formyl(methyl)amino]-2,2-dimethylpropyl]carbamate
CID 143418970
pyridin-4-ylmethoxymethanethioic S-acid
CID 145333664
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
CID 102231478
[3-(5-bromo-3-pyridinyl)phenyl]methyl N-tert-butylcarbamate
CID 174613945
pyridin-4-ylmethyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
CID 70009903

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-tert-butylcarbamate?
The IUPAC name of pyridin-4-ylmethyl N-tert-butylcarbamate (CID 59402004) is pyridin-4-ylmethyl N-tert-butylcarbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-tert-butylcarbamate?
The canonical SMILES for pyridin-4-ylmethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1ccncc1.
What is the InChIKey of pyridin-4-ylmethyl N-tert-butylcarbamate?
The InChIKey is YXSXSGFMNWHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)13-10(14)15-8-9-4-6-12-7-5-9/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of pyridin-4-ylmethyl N-tert-butylcarbamate?
pyridin-4-ylmethyl N-tert-butylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl N-tert-butylcarbamate is sourced from PubChem (CID 59402004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).