methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate

C12H17NO3 — CID 115924214

IUPACmethyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate
SMILESCOC(=O)CC1(NCc2ccoc2)CCC1
InChIInChI=1S/C12H17NO3/c1-15-11(14)7-12(4-2-5-12)13-8-10-3-6-16-9-10/h3,6,9,13H,2,4-5,7-8H2,1H3
InChIKeyIDYUKGMPMJAXHZ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.86
Rot. Bonds5

About methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate

methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate (PubChem CID 115924214) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate
PubChem CID115924214
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate
SMILESCOC(=O)CC1(NCc2ccoc2)CCC1
InChIInChI=1S/C12H17NO3/c1-15-11(14)7-12(4-2-5-12)13-8-10-3-6-16-9-10/h3,6,9,13H,2,4-5,7-8H2,1H3
InChIKeyIDYUKGMPMJAXHZ-UHFFFAOYSA-N
XLogP1.86
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate (CID 115924214) is methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate is COC(=O)CC1(NCc2ccoc2)CCC1.
What is the InChIKey of methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate?
The InChIKey is IDYUKGMPMJAXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-11(14)7-12(4-2-5-12)13-8-10-3-6-16-9-10/h3,6,9,13H,2,4-5,7-8H2,1H3.
What are the key properties of methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate?
methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate has a molecular weight of 223.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(furan-3-ylmethylamino)cyclobutyl]acetate is sourced from PubChem (CID 115924214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).