methyl 2-[(3-aminophenyl)sulfamoyl]propanoate

C10H14N2O4S — CID 54951310

IUPACmethyl 2-[(3-aminophenyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H14N2O4S/c1-7(10(13)16-2)17(14,15)12-9-5-3-4-8(11)6-9/h3-7,12H,11H2,1-2H3
InChIKeyXHRNIWXQYSYPHU-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.57
Rot. Bonds4

About methyl 2-[(3-aminophenyl)sulfamoyl]propanoate

methyl 2-[(3-aminophenyl)sulfamoyl]propanoate (PubChem CID 54951310) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-[(3-aminophenyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-aminophenyl)sulfamoyl]propanoate
PubChem CID54951310
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-[(3-aminophenyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H14N2O4S/c1-7(10(13)16-2)17(14,15)12-9-5-3-4-8(11)6-9/h3-7,12H,11H2,1-2H3
InChIKeyXHRNIWXQYSYPHU-UHFFFAOYSA-N
XLogP0.57
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-acetylphenyl)sulfamoyl]propanoate
CID 61458645
3-[3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]phenyl]prop-2-enoic acid
CID 76906606
methyl 2-[(4-amino-2-methylphenyl)sulfamoyl]propanoate
CID 54951259
methyl 2-[(3-bromo-4-iodophenyl)sulfamoyl]propanoate
CID 114262200
methyl 2-[(3-carbamothioyl-4-fluorophenyl)sulfamoyl]propanoate
CID 62317190
3-N-(2-methylpropylsulfamoyl)benzene-1,3-diamine
CID 114814004
2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
CID 63120963
2-(3-aminoanilino)propanoic acid
CID 23338715
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-[(3-methylsulfanylphenyl)sulfamoyl]propanoic acid
CID 54947268
methyl 2-[[4-(cyanomethoxy)phenyl]sulfamoyl]propanoate
CID 61458467
2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
CID 61454882

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminophenyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[(3-aminophenyl)sulfamoyl]propanoate (CID 54951310) is methyl 2-[(3-aminophenyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(3-aminophenyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(3-aminophenyl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)Nc1cccc(N)c1.
What is the InChIKey of methyl 2-[(3-aminophenyl)sulfamoyl]propanoate?
The InChIKey is XHRNIWXQYSYPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-7(10(13)16-2)17(14,15)12-9-5-3-4-8(11)6-9/h3-7,12H,11H2,1-2H3.
What are the key properties of methyl 2-[(3-aminophenyl)sulfamoyl]propanoate?
methyl 2-[(3-aminophenyl)sulfamoyl]propanoate has a molecular weight of 258.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminophenyl)sulfamoyl]propanoate is sourced from PubChem (CID 54951310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).