2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C14H23NO4 — CID 107214560

IUPAC2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCC1(O)CN(C(=O)CC2(CC(=O)O)CCCC2)C1
InChIInChI=1S/C14H23NO4/c1-2-14(19)9-15(10-14)11(16)7-13(8-12(17)18)5-3-4-6-13/h19H,2-10H2,1H3,(H,17,18)
InChIKeyXWTBAYJXKXUEJK-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.39
Rot. Bonds5

About 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 107214560) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID107214560
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCC1(O)CN(C(=O)CC2(CC(=O)O)CCCC2)C1
InChIInChI=1S/C14H23NO4/c1-2-14(19)9-15(10-14)11(16)7-13(8-12(17)18)5-3-4-6-13/h19H,2-10H2,1H3,(H,17,18)
InChIKeyXWTBAYJXKXUEJK-UHFFFAOYSA-N
XLogP1.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235044
2-[1-(2-oxo-2-piperidin-1-ylethyl)cyclohexyl]acetic acid
CID 43426933
2-[1-[2-(3,4-dimethylpyrrolidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 79188535
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103557185
2-[1-[2-(4,4-dimethylazepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 65283825
2-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235005
2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 63610859
2-[1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
CID 112624717
(3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone
CID 106827897
2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 64679856
2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 107214560) is 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is CCC1(O)CN(C(=O)CC2(CC(=O)O)CCCC2)C1.
What is the InChIKey of 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is XWTBAYJXKXUEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-14(19)9-15(10-14)11(16)7-13(8-12(17)18)5-3-4-6-13/h19H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 107214560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).