tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate

C11H19NO3 — CID 155190876

IUPACtert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate
SMILESCC1(O)C=CN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-7-5-11(4,14)6-8-12/h5,7,14H,6,8H2,1-4H3
InChIKeyFZJJVKDKGYDCAY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.89
Rot. Bonds

About tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate

tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate (PubChem CID 155190876) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate
PubChem CID155190876
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate
SMILESCC1(O)C=CN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-7-5-11(4,14)6-8-12/h5,7,14H,6,8H2,1-4H3
InChIKeyFZJJVKDKGYDCAY-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4,4-dimethoxy-2,3-dihydropyridine-1-carboxylate
CID 141477701
tert-butyl 4-(chloromethyl)-4-hydroxy-2,3-dihydropyridine-1-carboxylate
CID 102125858
tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate
CID 170693343
tert-butyl 3,3-dicyano-2H-pyrrole-1-carboxylate
CID 133188407
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
tert-butyl 3-benzyl-3-hydroxy-2H-pyrrole-1-carboxylate
CID 175304795
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 77134547
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
tert-butyl 2H-pyridine-1-carboxylate
CID 15730582

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate (CID 155190876) is tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate is CC1(O)C=CN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate?
The InChIKey is FZJJVKDKGYDCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-7-5-11(4,14)6-8-12/h5,7,14H,6,8H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate?
tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-methyl-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 155190876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).