benzyl 3-pyridin-2-ylazetidine-1-carboxylate

C16H16N2O2 — CID 146649299

IUPACbenzyl 3-pyridin-2-ylazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(c2ccccn2)C1
InChIInChI=1S/C16H16N2O2/c19-16(20-12-13-6-2-1-3-7-13)18-10-14(11-18)15-8-4-5-9-17-15/h1-9,14H,10-12H2
InChIKeyUHRBWQQLCQKLMB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.82
Rot. Bonds3

About benzyl 3-pyridin-2-ylazetidine-1-carboxylate

benzyl 3-pyridin-2-ylazetidine-1-carboxylate (PubChem CID 146649299) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is benzyl 3-pyridin-2-ylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-pyridin-2-ylazetidine-1-carboxylate
PubChem CID146649299
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Namebenzyl 3-pyridin-2-ylazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(c2ccccn2)C1
InChIInChI=1S/C16H16N2O2/c19-16(20-12-13-6-2-1-3-7-13)18-10-14(11-18)15-8-4-5-9-17-15/h1-9,14H,10-12H2
InChIKeyUHRBWQQLCQKLMB-UHFFFAOYSA-N
XLogP2.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-[4-(trifluoromethyl)-2-pyridinyl]azetidine-1-carboxylate
CID 137499436
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 44828813
benzyl 3-(5-chloro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 130472322
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 58076922
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
(3R,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 25418029
benzyl (3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 91666693

Frequently Asked Questions

What is the IUPAC name of benzyl 3-pyridin-2-ylazetidine-1-carboxylate?
The IUPAC name of benzyl 3-pyridin-2-ylazetidine-1-carboxylate (CID 146649299) is benzyl 3-pyridin-2-ylazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-pyridin-2-ylazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-pyridin-2-ylazetidine-1-carboxylate is O=C(OCc1ccccc1)N1CC(c2ccccn2)C1.
What is the InChIKey of benzyl 3-pyridin-2-ylazetidine-1-carboxylate?
The InChIKey is UHRBWQQLCQKLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20-12-13-6-2-1-3-7-13)18-10-14(11-18)15-8-4-5-9-17-15/h1-9,14H,10-12H2.
What are the key properties of benzyl 3-pyridin-2-ylazetidine-1-carboxylate?
benzyl 3-pyridin-2-ylazetidine-1-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-pyridin-2-ylazetidine-1-carboxylate is sourced from PubChem (CID 146649299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).