tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate

C19H22N2O2 — CID 58547347

IUPACtert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ncccc2-c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)23-18(22)21-12-15(13-21)17-16(10-7-11-20-17)14-8-5-4-6-9-14/h4-11,15H,12-13H2,1-3H3
InChIKeyHRLQZWRDEUWSGA-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.08
Rot. Bonds2

About tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate

tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate (PubChem CID 58547347) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
PubChem CID58547347
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nametert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ncccc2-c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)23-18(22)21-12-15(13-21)17-16(10-7-11-20-17)14-8-5-4-6-9-14/h4-11,15H,12-13H2,1-3H3
InChIKeyHRLQZWRDEUWSGA-UHFFFAOYSA-N
XLogP4.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate
CID 153372613
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634
tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
CID 66641449
tert-butyl 2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 74946314
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 3-[3-[4-(hydroxymethyl)piperidin-1-yl]quinoxalin-2-yl]azetidine-1-carboxylate
CID 58546998
tert-butyl 3-cyclopropyl-4-phenylpyrazole-1-carboxylate
CID 166993825
tert-butyl (3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 124585586
tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 59406986
tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 138487958
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-[4-(benzenesulfonyl)phenyl]azetidine-1-carboxylate
CID 162745981

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate (CID 58547347) is tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2ncccc2-c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate?
The InChIKey is HRLQZWRDEUWSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2,3)23-18(22)21-12-15(13-21)17-16(10-7-11-20-17)14-8-5-4-6-9-14/h4-11,15H,12-13H2,1-3H3.
What are the key properties of tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate?
tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate is sourced from PubChem (CID 58547347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).