(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid

C11H14N2O6S — CID 7448579

IUPAC(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(=O)O)cc1
InChIInChI=1S/C11H14N2O6S/c1-7(15)12-8-2-4-9(5-3-8)20(18,19)13-10(6-14)11(16)17/h2-5,10,13-14H,6H2,1H3,(H,12,15)(H,16,17)/t10-/m1/s1
InChIKeyORVJASHGTGNBIK-SNVBAGLBSA-N
MW302.31 g/mol
LogP-0.63
Rot. Bonds6

About (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid

(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 7448579) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID7448579
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(=O)O)cc1
InChIInChI=1S/C11H14N2O6S/c1-7(15)12-8-2-4-9(5-3-8)20(18,19)13-10(6-14)11(16)17/h2-5,10,13-14H,6H2,1H3,(H,12,15)(H,16,17)/t10-/m1/s1
InChIKeyORVJASHGTGNBIK-SNVBAGLBSA-N
XLogP-0.63
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid
CID 25138182
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2S)-2-[(4-acetamido-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 71387146
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
2-[(4-acetamidophenyl)sulfonylamino]-3-benzylsulfanylpropanoic acid
CID 3827036
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119224998
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
3-hydroxy-2-[(4-nitrophenyl)sulfonylamino]propanoic acid
CID 16782521
(2S)-3-hydroxy-2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]propanoic acid
CID 61143433
methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid (CID 7448579) is (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid is CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is ORVJASHGTGNBIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-7(15)12-8-2-4-9(5-3-8)20(18,19)13-10(6-14)11(16)17/h2-5,10,13-14H,6H2,1H3,(H,12,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 302.31 g/mol, XLogP of -0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 7448579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).