methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate

C13H17NO6 — CID 115670655

IUPACmethyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)c1occc1CN1CCOCC1C(=O)OC
InChIInChI=1S/C13H17NO6/c1-17-12(15)10-8-19-6-4-14(10)7-9-3-5-20-11(9)13(16)18-2/h3,5,10H,4,6-8H2,1-2H3
InChIKeyQGSYLOGITPKSAF-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.44
Rot. Bonds4

About methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate

methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate (PubChem CID 115670655) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
PubChem CID115670655
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namemethyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
SMILESCOC(=O)c1occc1CN1CCOCC1C(=O)OC
InChIInChI=1S/C13H17NO6/c1-17-12(15)10-8-19-6-4-14(10)7-9-3-5-20-11(9)13(16)18-2/h3,5,10H,4,6-8H2,1-2H3
InChIKeyQGSYLOGITPKSAF-UHFFFAOYSA-N
XLogP0.44
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
3-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-2-carboxylic acid
CID 83102524
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
CID 114478936
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
CID 115970488
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56502395
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate (CID 115670655) is methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate is COC(=O)c1occc1CN1CCOCC1C(=O)OC.
What is the InChIKey of methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate?
The InChIKey is QGSYLOGITPKSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-17-12(15)10-8-19-6-4-14(10)7-9-3-5-20-11(9)13(16)18-2/h3,5,10H,4,6-8H2,1-2H3.
What are the key properties of methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate?
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate is sourced from PubChem (CID 115670655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).