2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid

C10H12N2O6S — CID 12832567

IUPAC2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(S(=O)(=O)NC(N)=O)cc1)C(=O)O
InChIInChI=1S/C10H12N2O6S/c1-6(9(13)14)18-7-2-4-8(5-3-7)19(16,17)12-10(11)15/h2-6H,1H3,(H,13,14)(H3,11,12,15)
InChIKeyWYYYONXXTMQABH-UHFFFAOYSA-N
MW288.28 g/mol
LogP-0.10
Rot. Bonds5

About 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid

2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid (PubChem CID 12832567) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid
PubChem CID12832567
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(S(=O)(=O)NC(N)=O)cc1)C(=O)O
InChIInChI=1S/C10H12N2O6S/c1-6(9(13)14)18-7-2-4-8(5-3-7)19(16,17)12-10(11)15/h2-6H,1H3,(H,13,14)(H3,11,12,15)
InChIKeyWYYYONXXTMQABH-UHFFFAOYSA-N
XLogP-0.10
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]propanoic acid
CID 5350476
2-[4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]propanoic acid
CID 2897793
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-(4-fluorophenoxy)propanoic acid
CID 3872140
(4-methylphenyl)sulfonylurea;urea
CID 160676948
2-(4-anilinophenoxy)propanoic acid
CID 43519559
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
(2R)-N-methyl-2-[4-(phenylsulfamoyl)phenoxy]propanamide
CID 92513136
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614

Frequently Asked Questions

What is the IUPAC name of 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid (CID 12832567) is 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid is CC(Oc1ccc(S(=O)(=O)NC(N)=O)cc1)C(=O)O.
What is the InChIKey of 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid?
The InChIKey is WYYYONXXTMQABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c1-6(9(13)14)18-7-2-4-8(5-3-7)19(16,17)12-10(11)15/h2-6H,1H3,(H,13,14)(H3,11,12,15).
What are the key properties of 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid?
2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid has a molecular weight of 288.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carbamoylsulfamoyl)phenoxy]propanoic acid is sourced from PubChem (CID 12832567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).