ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate

C12H19NO4 — CID 170926133

IUPACethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)N2CCOCC2)CCC1
InChIInChI=1S/C12H19NO4/c1-2-17-11(15)12(4-3-5-12)10(14)13-6-8-16-9-7-13/h2-9H2,1H3
InChIKeyLYZFBQSQNPJRLW-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.58
Rot. Bonds3

About ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate

ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate (PubChem CID 170926133) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate
PubChem CID170926133
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nameethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)N2CCOCC2)CCC1
InChIInChI=1S/C12H19NO4/c1-2-17-11(15)12(4-3-5-12)10(14)13-6-8-16-9-7-13/h2-9H2,1H3
InChIKeyLYZFBQSQNPJRLW-UHFFFAOYSA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate (CID 170926133) is ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate is CCOC(=O)C1(C(=O)N2CCOCC2)CCC1.
What is the InChIKey of ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate?
The InChIKey is LYZFBQSQNPJRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-2-17-11(15)12(4-3-5-12)10(14)13-6-8-16-9-7-13/h2-9H2,1H3.
What are the key properties of ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate?
ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(morpholine-4-carbonyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 170926133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).