ethyl 2-(3-hydroxyazetidin-3-yl)acetate

C7H13NO3 — CID 125041879

IUPACethyl 2-(3-hydroxyazetidin-3-yl)acetate
SMILESCCOC(=O)CC1(O)CNC1
InChIInChI=1S/C7H13NO3/c1-2-11-6(9)3-7(10)4-8-5-7/h8,10H,2-5H2,1H3
InChIKeyQGYOYSNYGPBMAT-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.73
Rot. Bonds3

About ethyl 2-(3-hydroxyazetidin-3-yl)acetate

ethyl 2-(3-hydroxyazetidin-3-yl)acetate (PubChem CID 125041879) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 2-(3-hydroxyazetidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxyazetidin-3-yl)acetate
PubChem CID125041879
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 2-(3-hydroxyazetidin-3-yl)acetate
SMILESCCOC(=O)CC1(O)CNC1
InChIInChI=1S/C7H13NO3/c1-2-11-6(9)3-7(10)4-8-5-7/h8,10H,2-5H2,1H3
InChIKeyQGYOYSNYGPBMAT-UHFFFAOYSA-N
XLogP-0.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-hydroxyazetidin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
CID 163342200
ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
CID 62395927
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
ethyl 2-[(4S)-4-hydroxy-2,2-dimethyloxan-4-yl]acetate
CID 793360
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate
CID 114502124
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
ethyl 2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
CID 14958327
calcium;ethyl propanoate;hydride
CID 173132885
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401
ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
CID 97184502

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxyazetidin-3-yl)acetate?
The IUPAC name of ethyl 2-(3-hydroxyazetidin-3-yl)acetate (CID 125041879) is ethyl 2-(3-hydroxyazetidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(3-hydroxyazetidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(3-hydroxyazetidin-3-yl)acetate is CCOC(=O)CC1(O)CNC1.
What is the InChIKey of ethyl 2-(3-hydroxyazetidin-3-yl)acetate?
The InChIKey is QGYOYSNYGPBMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-6(9)3-7(10)4-8-5-7/h8,10H,2-5H2,1H3.
What are the key properties of ethyl 2-(3-hydroxyazetidin-3-yl)acetate?
ethyl 2-(3-hydroxyazetidin-3-yl)acetate has a molecular weight of 159.18 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxyazetidin-3-yl)acetate is sourced from PubChem (CID 125041879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).