2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C16H27NO3 — CID 3655382

IUPAC2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCC1CCCCN1C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H27NO3/c1-2-13-7-3-6-10-17(13)14(18)11-16(12-15(19)20)8-4-5-9-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeyAYOZBXGTZBZOAW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds5

About 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 3655382) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID3655382
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCC1CCCCN1C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H27NO3/c1-2-13-7-3-6-10-17(13)14(18)11-16(12-15(19)20)8-4-5-9-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeyAYOZBXGTZBZOAW-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[2-(hydroxymethyl)azepan-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 116634316
2-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid
CID 107214338
2-[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexyl]acetic acid
CID 61409048
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
CID 104689647
2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
2-[2-(2-ethylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 104689142
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65242450
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598446

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 3655382) is 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is CCC1CCCCN1C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is AYOZBXGTZBZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-13-7-3-6-10-17(13)14(18)11-16(12-15(19)20)8-4-5-9-16/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 281.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 3655382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).