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

C10H13NO5S — CID 80750989

IUPAC(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccccc1S(=O)(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H13NO5S/c1-7-4-2-3-5-9(7)17(15,16)11-8(6-12)10(13)14/h2-5,8,11-12H,6H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyUHASKEUCFGNCIK-MRVPVSSYSA-N
MW259.28 g/mol
LogP-0.28
Rot. Bonds5

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

(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid (PubChem CID 80750989) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
PubChem CID80750989
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccccc1S(=O)(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H13NO5S/c1-7-4-2-3-5-9(7)17(15,16)11-8(6-12)10(13)14/h2-5,8,11-12H,6H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyUHASKEUCFGNCIK-MRVPVSSYSA-N
XLogP-0.28
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2,4-dimethylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831660
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 69341011
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
(2S)-2-[(4-acetamido-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 71387146
(2S)-2-amino-3-[(2-methylphenyl)sulfonylamino]butanedioic acid
CID 134149212
(2R)-3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 80755925
3-[(2-methylphenyl)sulfonylamino]-2-oxo-4-phenylbutanamide
CID 175269810
3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 43242373
2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43245212
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
2-[(2-bromo-4-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43132336

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid (CID 80750989) is (2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid is Cc1ccccc1S(=O)(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid?
The InChIKey is UHASKEUCFGNCIK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-7-4-2-3-5-9(7)17(15,16)11-8(6-12)10(13)14/h2-5,8,11-12H,6H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid?
(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid has a molecular weight of 259.28 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 80750989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).