methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate

C12H18N2O5S — CID 61458712

IUPACmethyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCCOc1ccccc1N
InChIInChI=1S/C12H18N2O5S/c1-9(12(15)18-2)20(16,17)14-7-8-19-11-6-4-3-5-10(11)13/h3-6,9,14H,7-8,13H2,1-2H3
InChIKeySAPWPJCBLHFKQY-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.13
Rot. Bonds7

About methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate

methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate (PubChem CID 61458712) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate
PubChem CID61458712
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Namemethyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCCOc1ccccc1N
InChIInChI=1S/C12H18N2O5S/c1-9(12(15)18-2)20(16,17)14-7-8-19-11-6-4-3-5-10(11)13/h3-6,9,14H,7-8,13H2,1-2H3
InChIKeySAPWPJCBLHFKQY-UHFFFAOYSA-N
XLogP0.13
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
CID 114958698
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
N-[2-(2-aminophenoxy)ethyl]-3,4,4-trimethylpentanamide
CID 63832503
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-[2-(3-aminophenoxy)ethylsulfamoyl]propanoic acid
CID 55173468
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
methyl 2-[2-(propan-2-ylamino)ethylsulfamoyl]propanoate
CID 62664428
1-(2-aminophenoxy)propane-2-sulfonic acid
CID 87262430
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate?
The IUPAC name of methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate (CID 61458712) is methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate?
The canonical SMILES for methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NCCOc1ccccc1N.
What is the InChIKey of methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate?
The InChIKey is SAPWPJCBLHFKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-9(12(15)18-2)20(16,17)14-7-8-19-11-6-4-3-5-10(11)13/h3-6,9,14H,7-8,13H2,1-2H3.
What are the key properties of methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate?
methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate has a molecular weight of 302.35 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate is sourced from PubChem (CID 61458712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).