methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate

C11H16NO4+ — CID 5077998

IUPACmethyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C[NH+]2CCOCC2)o1
InChIInChI=1S/C11H15NO4/c1-14-11(13)10-3-2-9(16-10)8-12-4-6-15-7-5-12/h2-3H,4-8H2,1H3/p+1
InChIKeyLRTOUUMXSRHMDH-UHFFFAOYSA-O
MW226.25 g/mol
LogP-0.52
Rot. Bonds3

About methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate

methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate (PubChem CID 5077998) has the molecular formula C11H16NO4+ and a molecular weight of 226.25 g/mol. Its IUPAC name is methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
PubChem CID5077998
Molecular FormulaC11H16NO4+
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Namemethyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C[NH+]2CCOCC2)o1
InChIInChI=1S/C11H15NO4/c1-14-11(13)10-3-2-9(16-10)8-12-4-6-15-7-5-12/h2-3H,4-8H2,1H3/p+1
InChIKeyLRTOUUMXSRHMDH-UHFFFAOYSA-O
XLogP-0.52
TPSA53.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate
CID 8719685
methyl 5-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-2-carboxylate
CID 8749181
methyl 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate
CID 9257836
methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
CID 103923521
5-[[4-[(5-carboxylatofuran-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate
CID 3915419
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate
CID 8903924
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
CID 115628854
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265

Frequently Asked Questions

What is the IUPAC name of methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate (CID 5077998) is methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate is COC(=O)c1ccc(C[NH+]2CCOCC2)o1.
What is the InChIKey of methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate?
The InChIKey is LRTOUUMXSRHMDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15NO4/c1-14-11(13)10-3-2-9(16-10)8-12-4-6-15-7-5-12/h2-3H,4-8H2,1H3/p+1.
What are the key properties of methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate?
methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate has a molecular weight of 226.25 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 5077998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).