methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate

C13H17NO3 — CID 103272848

IUPACmethyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(OCc2ccccn2)CCC1
InChIInChI=1S/C13H17NO3/c1-16-12(15)9-13(6-4-7-13)17-10-11-5-2-3-8-14-11/h2-3,5,8H,4,6-7,9-10H2,1H3
InChIKeyMITLAIKPDGFVTF-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.08
Rot. Bonds5

About methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate

methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate (PubChem CID 103272848) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate
PubChem CID103272848
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(OCc2ccccn2)CCC1
InChIInChI=1S/C13H17NO3/c1-16-12(15)9-13(6-4-7-13)17-10-11-5-2-3-8-14-11/h2-3,5,8H,4,6-7,9-10H2,1H3
InChIKeyMITLAIKPDGFVTF-UHFFFAOYSA-N
XLogP2.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ibuprofen Piconol
CID 3673
Ethyl 2-pyridinecarboxylate
CID 17307
2-Pyridinemethanol, 2-acetate
CID 13881
Butyl pyridine-2-carboxylate
CID 79285
Decyl pyridine-2-carboxylate
CID 219539
2-Pyridinylmethyl butyrate
CID 99347
Propionic acid, 2,2-dimethyl-, 2-pyridylmethyl ester
CID 198257
5,5-Diethyl-3,3-dimethyl-6-pyridin-2-yloxane-2,4-dione
CID 2946900
Fusaric acid ethyl ester
CID 13624111
Ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
CID 15812390
(Pyridin-2-yl)methyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)
CID 39099
Ethyl 5-methylpyridine-2-carboxylate
CID 12243769

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate (CID 103272848) is methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate is COC(=O)CC1(OCc2ccccn2)CCC1.
What is the InChIKey of methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate?
The InChIKey is MITLAIKPDGFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-12(15)9-13(6-4-7-13)17-10-11-5-2-3-8-14-11/h2-3,5,8H,4,6-7,9-10H2,1H3.
What are the key properties of methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate?
methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate has a molecular weight of 235.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(pyridin-2-ylmethoxy)cyclobutyl]acetate is sourced from PubChem (CID 103272848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).