tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate

C12H18N2O3 — CID 59828921

IUPACtert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CO)nc1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-7-9-4-5-10(8-15)13-6-9/h4-6,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyOCBHZXIDYSZYNM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.60
Rot. Bonds3

About tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate

tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate (PubChem CID 59828921) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate
PubChem CID59828921
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CO)nc1
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-7-9-4-5-10(8-15)13-6-9/h4-6,15H,7-8H2,1-3H3,(H,14,16)
InChIKeyOCBHZXIDYSZYNM-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate (CID 59828921) is tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(CO)nc1.
What is the InChIKey of tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate?
The InChIKey is OCBHZXIDYSZYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-7-9-4-5-10(8-15)13-6-9/h4-6,15H,7-8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate?
tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 59828921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).