2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid

C13H23NO3 — CID 3655384

IUPAC2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-3-14(4-2)11(15)9-13(10-12(16)17)7-5-6-8-13/h3-10H2,1-2H3,(H,16,17)
InChIKeyXHQOFFWLJKBZBV-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds6

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

2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 3655384) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID3655384
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H23NO3/c1-3-14(4-2)11(15)9-13(10-12(16)17)7-5-6-8-13/h3-10H2,1-2H3,(H,16,17)
InChIKeyXHQOFFWLJKBZBV-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(piperidine-1-carbonyl)-cyclopentanecarboxylic acid
CID 3151271
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid;hydrochloride
CID 16196812
3-(Diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 652114
1,2,2-Trimethyl-3-[(4-methyl-1-piperidinyl)carbonyl]cyclopentanecarboxylic acid
CID 3655007
2-[1-[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid;hydrochloride
CID 16196907
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 1547710
2-[1-(2-Oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]acetic acid
CID 2421900
2-[1-[2-[Cyclohexyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 4075760
(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid
CID 95017407
3-[(3R)-1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 97338893

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 3655384) is 2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid is CCN(CC)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is XHQOFFWLJKBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-14(4-2)11(15)9-13(10-12(16)17)7-5-6-8-13/h3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 241.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 3655384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).