3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid

C9H15N3O5S — CID 107216092

IUPAC3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESC[C@H](O)CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C9H15N3O5S/c1-7(13)4-11-18(16,17)8-5-10-12(6-8)3-2-9(14)15/h5-7,11,13H,2-4H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyGMSJCTACCVMPSI-ZETCQYMHSA-N
MW277.30 g/mol
LogP-0.98
Rot. Bonds7

About 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 107216092) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID107216092
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESC[C@H](O)CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C9H15N3O5S/c1-7(13)4-11-18(16,17)8-5-10-12(6-8)3-2-9(14)15/h5-7,11,13H,2-4H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyGMSJCTACCVMPSI-ZETCQYMHSA-N
XLogP-0.98
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55108808
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid
CID 82706470
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 61463326
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626
3-[4-(hexylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513674
3-[4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 65105497
3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 61349658

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid (CID 107216092) is 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid is C[C@H](O)CNS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is GMSJCTACCVMPSI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-7(13)4-11-18(16,17)8-5-10-12(6-8)3-2-9(14)15/h5-7,11,13H,2-4H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 277.30 g/mol, XLogP of -0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 107216092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).