tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate

C14H20N2O3 — CID 115373753

IUPACtert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate
SMILESCc1cncc(C2(O)CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C14H20N2O3/c1-10-5-11(7-15-6-10)14(18)8-16(9-14)12(17)19-13(2,3)4/h5-7,18H,8-9H2,1-4H3
InChIKeyMRORZWZXMHZXJU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds1

About tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate

tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate (PubChem CID 115373753) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate
PubChem CID115373753
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate
SMILESCc1cncc(C2(O)CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C14H20N2O3/c1-10-5-11(7-15-6-10)14(18)8-16(9-14)12(17)19-13(2,3)4/h5-7,18H,8-9H2,1-4H3
InChIKeyMRORZWZXMHZXJU-UHFFFAOYSA-N
XLogP1.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
CID 103695996
tert-butyl 6-hydroxy-6-pyridin-3-yl-2-azaspiro[3.3]heptane-2-carboxylate
CID 168920605
tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
CID 103775238
tert-butyl 4-(5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70915305
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl 3-hydroxy-3-[3-(2-methylpropyl)phenyl]azetidine-1-carboxylate
CID 104890831
tert-butyl 3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-hydroxyazetidine-1-carboxylate
CID 114636484
tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175704989
tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 134231147
tert-butyl 3-(3,5-difluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 67403681
tert-butyl 3-[(5-bromo-3-pyridinyl)amino]-3-methylazetidine-1-carboxylate
CID 155098018

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate (CID 115373753) is tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate is Cc1cncc(C2(O)CN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate?
The InChIKey is MRORZWZXMHZXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-11(7-15-6-10)14(18)8-16(9-14)12(17)19-13(2,3)4/h5-7,18H,8-9H2,1-4H3.
What are the key properties of tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate?
tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate is sourced from PubChem (CID 115373753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).