3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid

C9H14N4O5S — CID 60934478

IUPAC3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid
SMILESCNC(=O)Cn1cc(NS(=O)(=O)CCC(=O)O)cn1
InChIInChI=1S/C9H14N4O5S/c1-10-8(14)6-13-5-7(4-11-13)12-19(17,18)3-2-9(15)16/h4-5,12H,2-3,6H2,1H3,(H,10,14)(H,15,16)
InChIKeyOCOHFVZODASUGF-UHFFFAOYSA-N
MW290.30 g/mol
LogP-1.15
Rot. Bonds7

About 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid

3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid (PubChem CID 60934478) has the molecular formula C9H14N4O5S and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid
PubChem CID60934478
Molecular FormulaC9H14N4O5S
Molecular Weight290.30 g/mol
Exact Mass290.07
IUPAC Name3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid
SMILESCNC(=O)Cn1cc(NS(=O)(=O)CCC(=O)O)cn1
InChIInChI=1S/C9H14N4O5S/c1-10-8(14)6-13-5-7(4-11-13)12-19(17,18)3-2-9(15)16/h4-5,12H,2-3,6H2,1H3,(H,10,14)(H,15,16)
InChIKeyOCOHFVZODASUGF-UHFFFAOYSA-N
XLogP-1.15
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid
CID 43709814
3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 43535078
2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 55009982
N-cyclopropyl-2-[4-(propylsulfonylamino)pyrazol-1-yl]acetamide
CID 61061294
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
CID 79026430
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
CID 61018002
N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760481

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid (CID 60934478) is 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid is CNC(=O)Cn1cc(NS(=O)(=O)CCC(=O)O)cn1.
What is the InChIKey of 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid?
The InChIKey is OCOHFVZODASUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5S/c1-10-8(14)6-13-5-7(4-11-13)12-19(17,18)3-2-9(15)16/h4-5,12H,2-3,6H2,1H3,(H,10,14)(H,15,16).
What are the key properties of 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid?
3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid has a molecular weight of 290.30 g/mol, XLogP of -1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid is sourced from PubChem (CID 60934478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).