2-phenyl-3-(propylsulfamoylamino)propanoic acid

C12H18N2O4S — CID 114805983

IUPAC2-phenyl-3-(propylsulfamoylamino)propanoic acid
SMILESCCCNS(=O)(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-2-8-13-19(17,18)14-9-11(12(15)16)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3,(H,15,16)
InChIKeyGJPGADIGAZUFDL-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.69
Rot. Bonds8

About 2-phenyl-3-(propylsulfamoylamino)propanoic acid

2-phenyl-3-(propylsulfamoylamino)propanoic acid (PubChem CID 114805983) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-phenyl-3-(propylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(propylsulfamoylamino)propanoic acid
PubChem CID114805983
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-phenyl-3-(propylsulfamoylamino)propanoic acid
SMILESCCCNS(=O)(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C12H18N2O4S/c1-2-8-13-19(17,18)14-9-11(12(15)16)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3,(H,15,16)
InChIKeyGJPGADIGAZUFDL-UHFFFAOYSA-N
XLogP0.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid
CID 114805986
2-phenyl-3-(sulfamoylamino)propanoic acid
CID 114958853
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine
CID 110627484
2-phenyl-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 62883151
3-(3-methoxypropylsulfonylamino)-2-phenylpropanoic acid
CID 63290449
2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide
CID 110626060
2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
CID 119254516
2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 62882270
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254729

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(propylsulfamoylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(propylsulfamoylamino)propanoic acid (CID 114805983) is 2-phenyl-3-(propylsulfamoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(propylsulfamoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(propylsulfamoylamino)propanoic acid is CCCNS(=O)(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(propylsulfamoylamino)propanoic acid?
The InChIKey is GJPGADIGAZUFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-8-13-19(17,18)14-9-11(12(15)16)10-6-4-3-5-7-10/h3-7,11,13-14H,2,8-9H2,1H3,(H,15,16).
What are the key properties of 2-phenyl-3-(propylsulfamoylamino)propanoic acid?
2-phenyl-3-(propylsulfamoylamino)propanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(propylsulfamoylamino)propanoic acid is sourced from PubChem (CID 114805983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).