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

C11H16N4O5S — CID 43568411

IUPAC3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCC(=O)NC2CC2)cn1
InChIInChI=1S/C11H16N4O5S/c16-10(14-8-1-2-8)6-13-21(19,20)9-5-12-15(7-9)4-3-11(17)18/h5,7-8,13H,1-4,6H2,(H,14,16)(H,17,18)
InChIKeyCAQNKOGZMONPLT-UHFFFAOYSA-N
MW316.34 g/mol
LogP-1.09
Rot. Bonds8

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

3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43568411) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43568411
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCC(=O)NC2CC2)cn1
InChIInChI=1S/C11H16N4O5S/c16-10(14-8-1-2-8)6-13-21(19,20)9-5-12-15(7-9)4-3-11(17)18/h5,7-8,13H,1-4,6H2,(H,14,16)(H,17,18)
InChIKeyCAQNKOGZMONPLT-UHFFFAOYSA-N
XLogP-1.09
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
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3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
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CID 106019277
3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 61349658
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
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CID 83229001
3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216274
3-[4-(2-cyanoethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55102482

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43568411) is 3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NCC(=O)NC2CC2)cn1.
What is the InChIKey of 3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is CAQNKOGZMONPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c16-10(14-8-1-2-8)6-13-21(19,20)9-5-12-15(7-9)4-3-11(17)18/h5,7-8,13H,1-4,6H2,(H,14,16)(H,17,18).
What are the key properties of 3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 316.34 g/mol, XLogP of -1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43568411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).