2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C17H27NO5 — CID 2348562

IUPAC2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCOC(=O)C1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1
InChIInChI=1S/C17H27NO5/c1-2-23-16(22)13-5-9-18(10-6-13)14(19)11-17(12-15(20)21)7-3-4-8-17/h13H,2-12H2,1H3,(H,20,21)
InChIKeyAIBJTDJJIVQWDN-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.21
Rot. Bonds6

About 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 2348562) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID2348562
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCOC(=O)C1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1
InChIInChI=1S/C17H27NO5/c1-2-23-16(22)13-5-9-18(10-6-13)14(19)11-17(12-15(20)21)7-3-4-8-17/h13H,2-12H2,1H3,(H,20,21)
InChIKeyAIBJTDJJIVQWDN-UHFFFAOYSA-N
XLogP2.21
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{1-[2-(Morpholin-4-yl)-2-oxoethyl]cyclopentyl}acetic acid
CID 3823452
1,2,2-Trimethyl-3-(morpholine-4-carbonyl)-cyclopentanecarboxylic acid
CID 650861
1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic Acid
CID 943458
2-[1-[2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 2348758
1,2,2-Trimethyl-3-[(4-methyl-1-piperidinyl)carbonyl]cyclopentanecarboxylic acid
CID 3655007
Methyl 2-[1-[2-(5-azaspiro[2.5]octan-5-yl)-2-oxoethyl]cyclopentyl]acetate
CID 99828745
2-[1-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382
2-[1-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655383
2-[1-(2-Oxo-2-piperidin-1-ylethyl)cyclopentyl]acetic acid
CID 4644102
2-[1-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 4644103
2-[1-[2-(4-Ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 4644105
2-[1-[2-[Bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 60662836

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 2348562) is 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is CCOC(=O)C1CCN(C(=O)CC2(CC(=O)O)CCCC2)CC1.
What is the InChIKey of 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is AIBJTDJJIVQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-2-23-16(22)13-5-9-18(10-6-13)14(19)11-17(12-15(20)21)7-3-4-8-17/h13H,2-12H2,1H3,(H,20,21).
What are the key properties of 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 2348562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).