[2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate

C10H14N2O4 — CID 175372429

IUPAC[2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate
SMILESCC(C)(O)COc1cc(OC(N)=O)ccn1
InChIInChI=1S/C10H14N2O4/c1-10(2,14)6-15-8-5-7(3-4-12-8)16-9(11)13/h3-5,14H,6H2,1-2H3,(H2,11,13)
InChIKeyKCZRULHFIBBSCI-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.69
Rot. Bonds4

About [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate

[2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate (PubChem CID 175372429) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate.

Molecular Properties

Compound Name[2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate
PubChem CID175372429
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name[2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate
SMILESCC(C)(O)COc1cc(OC(N)=O)ccn1
InChIInChI=1S/C10H14N2O4/c1-10(2,14)6-15-8-5-7(3-4-12-8)16-9(11)13/h3-5,14H,6H2,1-2H3,(H2,11,13)
InChIKeyKCZRULHFIBBSCI-UHFFFAOYSA-N
XLogP0.69
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate?
The IUPAC name of [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate (CID 175372429) is [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate.
What is the SMILES notation for [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate?
The canonical SMILES for [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate is CC(C)(O)COc1cc(OC(N)=O)ccn1.
What is the InChIKey of [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate?
The InChIKey is KCZRULHFIBBSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(2,14)6-15-8-5-7(3-4-12-8)16-9(11)13/h3-5,14H,6H2,1-2H3,(H2,11,13).
What are the key properties of [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate?
[2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate has a molecular weight of 226.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate is sourced from PubChem (CID 175372429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).