(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate

C13H18N2O2 — CID 175498808

IUPAC(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate
SMILESCC(C)(C)c1ccc(OC(=O)N2CCC2)cn1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)11-6-5-10(9-14-11)17-12(16)15-7-4-8-15/h5-6,9H,4,7-8H2,1-3H3
InChIKeyKXGGKJDZZJRNQT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.58
Rot. Bonds1

About (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate

(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate (PubChem CID 175498808) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate.

Molecular Properties

Compound Name(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate
PubChem CID175498808
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate
SMILESCC(C)(C)c1ccc(OC(=O)N2CCC2)cn1
InChIInChI=1S/C13H18N2O2/c1-13(2,3)11-6-5-10(9-14-11)17-12(16)15-7-4-8-15/h5-6,9H,4,7-8H2,1-3H3
InChIKeyKXGGKJDZZJRNQT-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-tert-butyl-3-pyridinyl) carbamate
CID 175536069
azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone
CID 59743869
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691
(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate
CID 58270753
4-O-tert-butyl 1-O-(4-methylphenyl) piperazine-1,4-dicarboxylate
CID 89003645
(6-prop-1-ynyl-3-pyridinyl) azetidine-1-carboperoxoate
CID 156903195
(4-methoxyphenyl) 4-methyl-1,4-diazepane-1-carboxylate
CID 89421681
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
2-tert-butyl-5-methoxypyridine;pyrrolidine
CID 145197740
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
1-[(6-tert-butyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine
CID 134595533

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate?
The IUPAC name of (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate (CID 175498808) is (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate.
What is the SMILES notation for (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate?
The canonical SMILES for (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate is CC(C)(C)c1ccc(OC(=O)N2CCC2)cn1.
What is the InChIKey of (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate?
The InChIKey is KXGGKJDZZJRNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)11-6-5-10(9-14-11)17-12(16)15-7-4-8-15/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate?
(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate is sourced from PubChem (CID 175498808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).