methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate

C15H21N2O4+ — CID 8903924

IUPACmethyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)13-4-2-12(3-5-13)10-16-14(18)11-17-6-8-21-9-7-17/h2-5H,6-11H2,1H3,(H,16,18)/p+1
InChIKeyPLJSLUDNMLBWDI-UHFFFAOYSA-O
MW293.34 g/mol
LogP-1.00
Rot. Bonds5

About methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate

methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate (PubChem CID 8903924) has the molecular formula C15H21N2O4+ and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate
PubChem CID8903924
Molecular FormulaC15H21N2O4+
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Namemethyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)13-4-2-12(3-5-13)10-16-14(18)11-17-6-8-21-9-7-17/h2-5H,6-11H2,1H3,(H,16,18)/p+1
InChIKeyPLJSLUDNMLBWDI-UHFFFAOYSA-O
XLogP-1.00
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[[2-(azepan-1-ium-1-yl)acetyl]amino]methyl]benzoate
CID 8896036
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 8541939
N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
CID 2697515
ethyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate
CID 7360402
methyl 4-[(oxan-4-ylamino)methyl]benzoate
CID 43609902
N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8544027
methyl 4-[[[2-(propan-2-ylamino)acetyl]amino]methyl]benzoate
CID 60641043
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide
CID 7435772
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
CID 5077998

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate (CID 8903924) is methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)C[NH+]2CCOCC2)cc1.
What is the InChIKey of methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate?
The InChIKey is PLJSLUDNMLBWDI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N2O4/c1-20-15(19)13-4-2-12(3-5-13)10-16-14(18)11-17-6-8-21-9-7-17/h2-5H,6-11H2,1H3,(H,16,18)/p+1.
What are the key properties of methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate?
methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate has a molecular weight of 293.34 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate is sourced from PubChem (CID 8903924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).