(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid

C11H15NO6S — CID 80751486

IUPAC(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H15NO6S/c1-7-3-4-9(18-2)10(5-7)19(16,17)12-8(6-13)11(14)15/h3-5,8,12-13H,6H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyROGGVVIBRQLNAW-MRVPVSSYSA-N
MW289.31 g/mol
LogP-0.27
Rot. Bonds6

About (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid

(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid (PubChem CID 80751486) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
PubChem CID80751486
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H15NO6S/c1-7-3-4-9(18-2)10(5-7)19(16,17)12-8(6-13)11(14)15/h3-5,8,12-13H,6H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyROGGVVIBRQLNAW-MRVPVSSYSA-N
XLogP-0.27
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-amino-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 61142085
4-amino-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 43092547
2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43245212
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid
CID 28544839
(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831660
2-[(2-bromo-4-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43132336
N-(1-hydroxy-3-phenylpropan-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 110673571
(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80755913
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid (CID 80751486) is (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid is COc1ccc(C)cc1S(=O)(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid?
The InChIKey is ROGGVVIBRQLNAW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-7-3-4-9(18-2)10(5-7)19(16,17)12-8(6-13)11(14)15/h3-5,8,12-13H,6H2,1-2H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid?
(2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid has a molecular weight of 289.31 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 80751486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).