2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid

C13H18N2O4S — CID 62488191

IUPAC2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)N1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O4S/c1-13(12(16)17,11-7-3-2-4-8-11)14-20(18,19)15-9-5-6-10-15/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,16,17)
InChIKeyWGLBDUXCKNPYMZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.92
Rot. Bonds5

About 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid

2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid (PubChem CID 62488191) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid
PubChem CID62488191
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)N1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O4S/c1-13(12(16)17,11-7-3-2-4-8-11)14-20(18,19)15-9-5-6-10-15/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,16,17)
InChIKeyWGLBDUXCKNPYMZ-UHFFFAOYSA-N
XLogP0.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid
CID 61262486
2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylpropanoic acid
CID 62487843
N-(2,2-diphenylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 42939129
2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid
CID 115000696
2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
CID 62586316
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 115754110
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62487324
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434
2-[(2,4-dimethylthiophen-3-yl)sulfonylamino]-2-phenylpropanoic acid
CID 166253234

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid (CID 62488191) is 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid is CC(NS(=O)(=O)N1CCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
The InChIKey is WGLBDUXCKNPYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-13(12(16)17,11-7-3-2-4-8-11)14-20(18,19)15-9-5-6-10-15/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,16,17).
What are the key properties of 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid?
2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid has a molecular weight of 298.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(pyrrolidin-1-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 62488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).