ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate

C12H20N2O6 — CID 10902282

IUPACethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate
SMILESCCOC(=O)N1CC(O)(C2(O)CN(C(=O)OCC)C2)C1
InChIInChI=1S/C12H20N2O6/c1-3-19-9(15)13-5-11(17,6-13)12(18)7-14(8-12)10(16)20-4-2/h17-18H,3-8H2,1-2H3
InChIKeyOWCXOAJKPBDLCU-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.61
Rot. Bonds3

About ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate

ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate (PubChem CID 10902282) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate
PubChem CID10902282
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Nameethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate
SMILESCCOC(=O)N1CC(O)(C2(O)CN(C(=O)OCC)C2)C1
InChIInChI=1S/C12H20N2O6/c1-3-19-9(15)13-5-11(17,6-13)12(18)7-14(8-12)10(16)20-4-2/h17-18H,3-8H2,1-2H3
InChIKeyOWCXOAJKPBDLCU-UHFFFAOYSA-N
XLogP-0.61
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-chloro-3-(chloromethyl)azetidine-1-carboxylate
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ethyl azetidine-1-carboxylate
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CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
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ethyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate
CID 142649398
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
tert-butyl 3-ethoxy-3-hydroxyazetidine-1-carboxylate
CID 150244500
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate?
The IUPAC name of ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate (CID 10902282) is ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate is CCOC(=O)N1CC(O)(C2(O)CN(C(=O)OCC)C2)C1.
What is the InChIKey of ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate?
The InChIKey is OWCXOAJKPBDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-19-9(15)13-5-11(17,6-13)12(18)7-14(8-12)10(16)20-4-2/h17-18H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate?
ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate has a molecular weight of 288.30 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 10902282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).