2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid

C10H14N2O4S — CID 54947129

IUPAC2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C10H14N2O4S/c1-8(10(13)14)17(15,16)12-7-4-9-2-5-11-6-3-9/h2-3,5-6,8,12H,4,7H2,1H3,(H,13,14)
InChIKeyMGXPAKBGOAHPEI-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.02
Rot. Bonds6

About 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid

2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid (PubChem CID 54947129) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid
PubChem CID54947129
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C10H14N2O4S/c1-8(10(13)14)17(15,16)12-7-4-9-2-5-11-6-3-9/h2-3,5-6,8,12H,4,7H2,1H3,(H,13,14)
InChIKeyMGXPAKBGOAHPEI-UHFFFAOYSA-N
XLogP0.02
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-ylethyl)butane-2-sulfonamide
CID 70596181
2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
CID 54947851
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
1-(2-pyridin-4-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60913226
2-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]propanoic acid
CID 64547817
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 60915127
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
N-(2-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 110245780

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid?
The IUPAC name of 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid (CID 54947129) is 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NCCc1ccncc1.
What is the InChIKey of 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid?
The InChIKey is MGXPAKBGOAHPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-8(10(13)14)17(15,16)12-7-4-9-2-5-11-6-3-9/h2-3,5-6,8,12H,4,7H2,1H3,(H,13,14).
What are the key properties of 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid?
2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylethylsulfamoyl)propanoic acid is sourced from PubChem (CID 54947129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).