tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid

C10H14N2O3 — CID 67067096

IUPACtert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cncc(O)c1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)12(9(14)15)7-4-8(13)6-11-5-7/h4-6,13H,1-3H3,(H,14,15)
InChIKeyKTTDTTKJAPMZND-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.07
Rot. Bonds1

About tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid

tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid (PubChem CID 67067096) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid
PubChem CID67067096
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nametert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cncc(O)c1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)12(9(14)15)7-4-8(13)6-11-5-7/h4-6,13H,1-3H3,(H,14,15)
InChIKeyKTTDTTKJAPMZND-UHFFFAOYSA-N
XLogP2.07
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid?
The IUPAC name of tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid (CID 67067096) is tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid.
What is the SMILES notation for tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid?
The canonical SMILES for tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid is CC(C)(C)N(C(=O)O)c1cncc(O)c1.
What is the InChIKey of tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid?
The InChIKey is KTTDTTKJAPMZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)12(9(14)15)7-4-8(13)6-11-5-7/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid?
tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid has a molecular weight of 210.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid is sourced from PubChem (CID 67067096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).