methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate

C11H13NO3 — CID 116930271

IUPACmethyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate
SMILESCOC(=O)C1(Cc2ccccn2)COC1
InChIInChI=1S/C11H13NO3/c1-14-10(13)11(7-15-8-11)6-9-4-2-3-5-12-9/h2-5H,6-8H2,1H3
InChIKeyNBBNRNIGORTIFS-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.81
Rot. Bonds3

About methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate

methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate (PubChem CID 116930271) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate
PubChem CID116930271
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate
SMILESCOC(=O)C1(Cc2ccccn2)COC1
InChIInChI=1S/C11H13NO3/c1-14-10(13)11(7-15-8-11)6-9-4-2-3-5-12-9/h2-5H,6-8H2,1H3
InChIKeyNBBNRNIGORTIFS-UHFFFAOYSA-N
XLogP0.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876
3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide
CID 115185783
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
CID 110084497
methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate
CID 115247225
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
2-[1-(pyridin-2-ylmethyl)cyclopropyl]acetic acid
CID 82403496
3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 79428964
1-O-tert-butyl 4-O-ethyl 4-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxylate
CID 162726373
3-(3-methyloxetan-3-yl)-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]propan-1-one
CID 158035479
methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate
CID 103272848

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate?
The IUPAC name of methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate (CID 116930271) is methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate?
The canonical SMILES for methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate is COC(=O)C1(Cc2ccccn2)COC1.
What is the InChIKey of methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate?
The InChIKey is NBBNRNIGORTIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-10(13)11(7-15-8-11)6-9-4-2-3-5-12-9/h2-5H,6-8H2,1H3.
What are the key properties of methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate?
methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate is sourced from PubChem (CID 116930271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).