ethyl 1-methoxyazetidine-2-carboxylate

C7H13NO3 — CID 559398

IUPACethyl 1-methoxyazetidine-2-carboxylate
SMILESCCOC(=O)C1CCN1OC
InChIInChI=1S/C7H13NO3/c1-3-11-7(9)6-4-5-8(6)10-2/h6H,3-5H2,1-2H3
InChIKeyWNWSHSKUCFIXQE-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.19
Rot. Bonds3

About ethyl 1-methoxyazetidine-2-carboxylate

ethyl 1-methoxyazetidine-2-carboxylate (PubChem CID 559398) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 1-methoxyazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methoxyazetidine-2-carboxylate
PubChem CID559398
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 1-methoxyazetidine-2-carboxylate
SMILESCCOC(=O)C1CCN1OC
InChIInChI=1S/C7H13NO3/c1-3-11-7(9)6-4-5-8(6)10-2/h6H,3-5H2,1-2H3
InChIKeyWNWSHSKUCFIXQE-UHFFFAOYSA-N
XLogP0.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methoxyazetidine-2-carboxylate?
The IUPAC name of ethyl 1-methoxyazetidine-2-carboxylate (CID 559398) is ethyl 1-methoxyazetidine-2-carboxylate.
What is the SMILES notation for ethyl 1-methoxyazetidine-2-carboxylate?
The canonical SMILES for ethyl 1-methoxyazetidine-2-carboxylate is CCOC(=O)C1CCN1OC.
What is the InChIKey of ethyl 1-methoxyazetidine-2-carboxylate?
The InChIKey is WNWSHSKUCFIXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-11-7(9)6-4-5-8(6)10-2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 1-methoxyazetidine-2-carboxylate?
ethyl 1-methoxyazetidine-2-carboxylate has a molecular weight of 159.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methoxyazetidine-2-carboxylate is sourced from PubChem (CID 559398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).