tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate

C11H16N2O3 — CID 23151001

IUPACtert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(CO)ccn1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-9-6-8(7-14)4-5-12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15)
InChIKeyWWIMVFCGNYLUMJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate

tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate (PubChem CID 23151001) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate
PubChem CID23151001
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(CO)ccn1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-9-6-8(7-14)4-5-12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15)
InChIKeyWWIMVFCGNYLUMJ-UHFFFAOYSA-N
XLogP1.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate (CID 23151001) is tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(CO)ccn1.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate?
The InChIKey is WWIMVFCGNYLUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-9-6-8(7-14)4-5-12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15).
What are the key properties of tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate?
tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate has a molecular weight of 224.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 23151001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).