3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid

C8H14N4O4S — CID 104617625

IUPAC3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid
SMILESCc1cn[nH]c1NS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H14N4O4S/c1-6-5-9-10-8(6)11-17(15,16)12(2)4-3-7(13)14/h5H,3-4H2,1-2H3,(H,13,14)(H2,9,10,11)
InChIKeyXDIGLKRJFAZBOM-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.22
Rot. Bonds6

About 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid

3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid (PubChem CID 104617625) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid
PubChem CID104617625
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid
SMILESCc1cn[nH]c1NS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H14N4O4S/c1-6-5-9-10-8(6)11-17(15,16)12(2)4-3-7(13)14/h5H,3-4H2,1-2H3,(H,13,14)(H2,9,10,11)
InChIKeyXDIGLKRJFAZBOM-UHFFFAOYSA-N
XLogP-0.22
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[methyl(1H-pyrazol-5-ylsulfamoyl)amino]propanoate
CID 65684580
3-[methyl-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]amino]propanoic acid
CID 65684618
3-[methyl(1H-pyrazol-5-ylsulfamoyl)amino]propanoic acid
CID 65684774
3-[methyl(1H-pyrazol-4-ylmethylsulfamoyl)amino]propanoic acid
CID 65685350
4-[(5-amino-1H-pyrazol-4-yl)methylsulfamoyl]butanoic acid
CID 79529220
2-[(5-amino-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 79530326
3-[(5-amino-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 79531195
4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid
CID 104617596
2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
CID 104617610
3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
CID 104617617
2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid
CID 104617629
methyl 3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl-methylamino]propanoate
CID 104617658

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid (CID 104617625) is 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid is Cc1cn[nH]c1NS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid?
The InChIKey is XDIGLKRJFAZBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-6-5-9-10-8(6)11-17(15,16)12(2)4-3-7(13)14/h5H,3-4H2,1-2H3,(H,13,14)(H2,9,10,11).
What are the key properties of 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid?
3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid has a molecular weight of 262.29 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 104617625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).