(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid

C11H13NO5S — CID 29049479

IUPAC(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
SMILESCC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C11H13NO5S/c1-7(11(14)15)12-18(16,17)10-5-3-4-9(6-10)8(2)13/h3-7,12H,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyJHYLFDYWFQMYKN-SSDOTTSWSA-N
MW271.29 g/mol
LogP0.64
Rot. Bonds5

About (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid

(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid (PubChem CID 29049479) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
PubChem CID29049479
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
SMILESCC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C11H13NO5S/c1-7(11(14)15)12-18(16,17)10-5-3-4-9(6-10)8(2)13/h3-7,12H,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyJHYLFDYWFQMYKN-SSDOTTSWSA-N
XLogP0.64
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43080124
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
(2R)-2-[(3-acetylphenyl)sulfonylamino]-4-amino-4-oxobutanoic acid
CID 28538089
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 110673600
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
3-[(1-carboxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 3476550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid (CID 29049479) is (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid is CC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)O)c1.
What is the InChIKey of (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid?
The InChIKey is JHYLFDYWFQMYKN-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-7(11(14)15)12-18(16,17)10-5-3-4-9(6-10)8(2)13/h3-7,12H,1-2H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid?
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid has a molecular weight of 271.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 29049479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).