2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid

C13H19NO4S — CID 80686315

IUPAC2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
SMILESCC(CS(=O)(=O)NC(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO4S/c1-10(11-7-5-4-6-8-11)9-19(17,18)14-13(2,3)12(15)16/h4-8,10,14H,9H2,1-3H3,(H,15,16)
InChIKeyQKTKSGKTBCKTHO-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.57
Rot. Bonds6

About 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid

2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid (PubChem CID 80686315) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
PubChem CID80686315
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
SMILESCC(CS(=O)(=O)NC(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO4S/c1-10(11-7-5-4-6-8-11)9-19(17,18)14-13(2,3)12(15)16/h4-8,10,14H,9H2,1-3H3,(H,15,16)
InChIKeyQKTKSGKTBCKTHO-UHFFFAOYSA-N
XLogP1.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-2-methyl-2-(2-phenylpropylsulfonylamino)propanimidamide
CID 80686938
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686091
2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide
CID 80688313
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
3-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686387
2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686458
(2S)-4-amino-4-oxo-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 80690279
N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide
CID 80686247
2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid (CID 80686315) is 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid is CC(CS(=O)(=O)NC(C)(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid?
The InChIKey is QKTKSGKTBCKTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10(11-7-5-4-6-8-11)9-19(17,18)14-13(2,3)12(15)16/h4-8,10,14H,9H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid?
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid has a molecular weight of 285.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid is sourced from PubChem (CID 80686315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).