methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate

C14H23NO5 — CID 103165176

IUPACmethyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate
SMILESCCOC1CC(CC(=O)N2CCOC(C(=O)OC)C2)C1
InChIInChI=1S/C14H23NO5/c1-3-19-11-6-10(7-11)8-13(16)15-4-5-20-12(9-15)14(17)18-2/h10-12H,3-9H2,1-2H3
InChIKeyRUGDGNJJCCTIIE-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.59
Rot. Bonds5

About methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate

methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate (PubChem CID 103165176) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate
PubChem CID103165176
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Namemethyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate
SMILESCCOC1CC(CC(=O)N2CCOC(C(=O)OC)C2)C1
InChIInChI=1S/C14H23NO5/c1-3-19-11-6-10(7-11)8-13(16)15-4-5-20-12(9-15)14(17)18-2/h10-12H,3-9H2,1-2H3
InChIKeyRUGDGNJJCCTIIE-UHFFFAOYSA-N
XLogP0.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate (CID 103165176) is methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate is CCOC1CC(CC(=O)N2CCOC(C(=O)OC)C2)C1.
What is the InChIKey of methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate?
The InChIKey is RUGDGNJJCCTIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-3-19-11-6-10(7-11)8-13(16)15-4-5-20-12(9-15)14(17)18-2/h10-12H,3-9H2,1-2H3.
What are the key properties of methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate?
methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate is sourced from PubChem (CID 103165176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).