methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate

C17H27NO3 — CID 99828745

IUPACmethyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate
SMILESCOC(=O)CC1(CC(=O)N2CCCC3(CC3)C2)CCCC1
InChIInChI=1S/C17H27NO3/c1-21-15(20)12-17(5-2-3-6-17)11-14(19)18-10-4-7-16(13-18)8-9-16/h2-13H2,1H3
InChIKeyAVMHOUZGIKUVKB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.90
Rot. Bonds4

About methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate

methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate (PubChem CID 99828745) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate
PubChem CID99828745
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate
SMILESCOC(=O)CC1(CC(=O)N2CCCC3(CC3)C2)CCCC1
InChIInChI=1S/C17H27NO3/c1-21-15(20)12-17(5-2-3-6-17)11-14(19)18-10-4-7-16(13-18)8-9-16/h2-13H2,1H3
InChIKeyAVMHOUZGIKUVKB-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate (CID 99828745) is methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate is COC(=O)CC1(CC(=O)N2CCCC3(CC3)C2)CCCC1.
What is the InChIKey of methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate?
The InChIKey is AVMHOUZGIKUVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-21-15(20)12-17(5-2-3-6-17)11-14(19)18-10-4-7-16(13-18)8-9-16/h2-13H2,1H3.
What are the key properties of methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate?
methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate has a molecular weight of 293.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate is sourced from PubChem (CID 99828745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).