2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid

C10H14N2O5S — CID 55141905

IUPAC2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid
SMILESCOc1cc(CNS(=O)(=O)C(C)C(=O)O)ccn1
InChIInChI=1S/C10H14N2O5S/c1-7(10(13)14)18(15,16)12-6-8-3-4-11-9(5-8)17-2/h3-5,7,12H,6H2,1-2H3,(H,13,14)
InChIKeyMUXHHDSDDUTQDL-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.02
Rot. Bonds6

About 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid

2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid (PubChem CID 55141905) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid
PubChem CID55141905
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid
SMILESCOc1cc(CNS(=O)(=O)C(C)C(=O)O)ccn1
InChIInChI=1S/C10H14N2O5S/c1-7(10(13)14)18(15,16)12-6-8-3-4-11-9(5-8)17-2/h3-5,7,12H,6H2,1-2H3,(H,13,14)
InChIKeyMUXHHDSDDUTQDL-UHFFFAOYSA-N
XLogP-0.02
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106062082
2-[[3-(methoxymethyl)phenyl]methylsulfamoyl]propanoic acid
CID 61458173
(2R)-2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78919876
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62992810
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62994020
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106062053
N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86919506
2-[(2-methylpyrimidin-4-yl)methylsulfamoyl]propanoic acid
CID 54947709
2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid
CID 61458135

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid (CID 55141905) is 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid is COc1cc(CNS(=O)(=O)C(C)C(=O)O)ccn1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid?
The InChIKey is MUXHHDSDDUTQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-7(10(13)14)18(15,16)12-6-8-3-4-11-9(5-8)17-2/h3-5,7,12H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid?
2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid has a molecular weight of 274.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 55141905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).