methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate

C11H18N2O4 — CID 115670529

IUPACmethyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(=O)N1CCC1
InChIInChI=1S/C11H18N2O4/c1-16-11(15)9-8-17-6-5-13(9)7-10(14)12-3-2-4-12/h9H,2-8H2,1H3
InChIKeyJMEPGSSZRDKBBF-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.91
Rot. Bonds3

About methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate

methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate (PubChem CID 115670529) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
PubChem CID115670529
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namemethyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(=O)N1CCC1
InChIInChI=1S/C11H18N2O4/c1-16-11(15)9-8-17-6-5-13(9)7-10(14)12-3-2-4-12/h9H,2-8H2,1H3
InChIKeyJMEPGSSZRDKBBF-UHFFFAOYSA-N
XLogP-0.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl (3S)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 95786436
methyl (3R)-4-[2-(cyclopropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 95786437
methyl 4-(oxolan-3-ylmethyl)morpholine-3-carboxylate
CID 115670570
methyl 4-(2-cyanopropyl)morpholine-3-carboxylate
CID 104774976
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
methyl 4-[2-(dipropylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 115670583
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
CID 113296435
methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 113247741

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate (CID 115670529) is methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate is COC(=O)C1COCCN1CC(=O)N1CCC1.
What is the InChIKey of methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate?
The InChIKey is JMEPGSSZRDKBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-16-11(15)9-8-17-6-5-13(9)7-10(14)12-3-2-4-12/h9H,2-8H2,1H3.
What are the key properties of methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate?
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate has a molecular weight of 242.27 g/mol, XLogP of -0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate is sourced from PubChem (CID 115670529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).