ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate

C10H17NO4 — CID 71309772

IUPACethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate
SMILESCCOC(=O)CC1(N2CC(O)C2)COC1
InChIInChI=1S/C10H17NO4/c1-2-15-9(13)3-10(6-14-7-10)11-4-8(12)5-11/h8,12H,2-7H2,1H3
InChIKeyLJRRDGQNJWTSNA-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.61
Rot. Bonds4

About ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate

ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate (PubChem CID 71309772) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate
PubChem CID71309772
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate
SMILESCCOC(=O)CC1(N2CC(O)C2)COC1
InChIInChI=1S/C10H17NO4/c1-2-15-9(13)3-10(6-14-7-10)11-4-8(12)5-11/h8,12H,2-7H2,1H3
InChIKeyLJRRDGQNJWTSNA-UHFFFAOYSA-N
XLogP-0.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(azepan-1-yl)oxan-3-yl]acetate
CID 64528384
1-[3-(diethylaminomethyl)oxetan-3-yl]azetidin-3-ol
CID 170985718
ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
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ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
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ethyl 2-(3-cyanooxetan-3-yl)acetate
CID 46204179
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
CID 103565026
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
CID 64526459
ethyl 2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421003
ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
CID 65422517

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate?
The IUPAC name of ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate (CID 71309772) is ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate?
The canonical SMILES for ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate is CCOC(=O)CC1(N2CC(O)C2)COC1.
What is the InChIKey of ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate?
The InChIKey is LJRRDGQNJWTSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-9(13)3-10(6-14-7-10)11-4-8(12)5-11/h8,12H,2-7H2,1H3.
What are the key properties of ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate?
ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate has a molecular weight of 215.25 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate is sourced from PubChem (CID 71309772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).