[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate

C11H16N2O3 — CID 152688524

IUPAC[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cc(CO)ccn1)OC(N)=O
InChIInChI=1S/C11H16N2O3/c1-11(2,16-10(12)15)6-9-5-8(7-14)3-4-13-9/h3-5,14H,6-7H2,1-2H3,(H2,12,15)
InChIKeyZPCAARMERVIYOA-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.99
Rot. Bonds4

About [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate

[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate (PubChem CID 152688524) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
PubChem CID152688524
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cc(CO)ccn1)OC(N)=O
InChIInChI=1S/C11H16N2O3/c1-11(2,16-10(12)15)6-9-5-8(7-14)3-4-13-9/h3-5,14H,6-7H2,1-2H3,(H2,12,15)
InChIKeyZPCAARMERVIYOA-UHFFFAOYSA-N
XLogP0.99
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate (CID 152688524) is [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1cc(CO)ccn1)OC(N)=O.
What is the InChIKey of [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is ZPCAARMERVIYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,16-10(12)15)6-9-5-8(7-14)3-4-13-9/h3-5,14H,6-7H2,1-2H3,(H2,12,15).
What are the key properties of [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate?
[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 224.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 152688524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).