2-phenyl-3-(sulfamoylamino)propanoic acid

C9H12N2O4S — CID 114958853

IUPAC2-phenyl-3-(sulfamoylamino)propanoic acid
SMILESNS(=O)(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C9H12N2O4S/c10-16(14,15)11-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)
InChIKeyMZVVAEHLWQMKCG-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.35
Rot. Bonds5

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

2-phenyl-3-(sulfamoylamino)propanoic acid (PubChem CID 114958853) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-phenyl-3-(sulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(sulfamoylamino)propanoic acid
PubChem CID114958853
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-phenyl-3-(sulfamoylamino)propanoic acid
SMILESNS(=O)(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C9H12N2O4S/c10-16(14,15)11-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)
InChIKeyMZVVAEHLWQMKCG-UHFFFAOYSA-N
XLogP-0.35
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(propylsulfamoylamino)propanoic acid
CID 114805983
3-(cyclopropylsulfamoylamino)-2-phenylpropanoic acid
CID 114805986
2-phenyl-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 62883151
2-phenyl-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 62882270
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-(3-methoxypropylsulfonylamino)-2-phenylpropanoic acid
CID 63290449
3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254729
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
2-phenyl-3-propan-2-ylsulfonylpropanoic acid
CID 64560377
3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-phenylpropanoic acid
CID 106174790
3-(3-ethylpentan-2-ylamino)-2-phenylpropanoic acid
CID 64559425

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(sulfamoylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(sulfamoylamino)propanoic acid (CID 114958853) is 2-phenyl-3-(sulfamoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(sulfamoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(sulfamoylamino)propanoic acid is NS(=O)(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(sulfamoylamino)propanoic acid?
The InChIKey is MZVVAEHLWQMKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c10-16(14,15)11-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15).
What are the key properties of 2-phenyl-3-(sulfamoylamino)propanoic acid?
2-phenyl-3-(sulfamoylamino)propanoic acid has a molecular weight of 244.27 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(sulfamoylamino)propanoic acid is sourced from PubChem (CID 114958853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).