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

C11H15NO5S — CID 28831660

IUPAC(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)C(=O)O)c(C)c1
InChIInChI=1S/C11H15NO5S/c1-7-3-4-10(8(2)5-7)18(16,17)12-9(6-13)11(14)15/h3-5,9,12-13H,6H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyDMDBRECICPINRK-SECBINFHSA-N
MW273.31 g/mol
LogP0.03
Rot. Bonds5

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

(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 28831660) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID28831660
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESCc1ccc(S(=O)(=O)N[C@H](CO)C(=O)O)c(C)c1
InChIInChI=1S/C11H15NO5S/c1-7-3-4-10(8(2)5-7)18(16,17)12-9(6-13)11(14)15/h3-5,9,12-13H,6H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyDMDBRECICPINRK-SECBINFHSA-N
XLogP0.03
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-4-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43132336
(2S)-2-[(4-acetamido-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 71387146
(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 80750989
(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
CID 80751486
2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43245212
(2R)-4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828841
4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084160
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244418
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43470023
3-hydroxy-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
CID 43238329

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid (CID 28831660) is (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid is Cc1ccc(S(=O)(=O)N[C@H](CO)C(=O)O)c(C)c1.
What is the InChIKey of (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is DMDBRECICPINRK-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-7-3-4-10(8(2)5-7)18(16,17)12-9(6-13)11(14)15/h3-5,9,12-13H,6H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 28831660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).