2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid

C13H17NO6S — CID 61454647

IUPAC2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C13H17NO6S/c1-3-8-20-13(17)10-4-6-11(7-5-10)14-21(18,19)9(2)12(15)16/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyMZDIFYOOBRXANN-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.47
Rot. Bonds7

About 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid

2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid (PubChem CID 61454647) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
PubChem CID61454647
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid
SMILESCCCOC(=O)c1ccc(NS(=O)(=O)C(C)C(=O)O)cc1
InChIInChI=1S/C13H17NO6S/c1-3-8-20-13(17)10-4-6-11(7-5-10)14-21(18,19)9(2)12(15)16/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyMZDIFYOOBRXANN-UHFFFAOYSA-N
XLogP1.47
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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propyl 4-(1H-pyrrol-3-ylsulfonylamino)benzoate
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2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
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propyl 4-(2-methylpropoxycarbonylamino)benzoate
CID 43404774
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
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propyl 4-[2-(methylamino)propanoylamino]benzoate
CID 60718902
2-[(2-bromo-4-ethoxycarbonylphenyl)sulfamoyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid (CID 61454647) is 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid is CCCOC(=O)c1ccc(NS(=O)(=O)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid?
The InChIKey is MZDIFYOOBRXANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-3-8-20-13(17)10-4-6-11(7-5-10)14-21(18,19)9(2)12(15)16/h4-7,9,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid?
2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid has a molecular weight of 315.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propoxycarbonylphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61454647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).