3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid

C14H15NO5S — CID 4840496

IUPAC3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid
SMILESCC(O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H15NO5S/c1-9(16)13(14(17)18)15-21(19,20)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,15-16H,1H3,(H,17,18)
InChIKeyAMMYKSFYQAISTF-UHFFFAOYSA-N
MW309.34 g/mol
LogP0.95
Rot. Bonds5

About 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid

3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid (PubChem CID 4840496) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid
PubChem CID4840496
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid
SMILESCC(O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H15NO5S/c1-9(16)13(14(17)18)15-21(19,20)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,15-16H,1H3,(H,17,18)
InChIKeyAMMYKSFYQAISTF-UHFFFAOYSA-N
XLogP0.95
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid (CID 4840496) is 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid is CC(O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid?
The InChIKey is AMMYKSFYQAISTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-9(16)13(14(17)18)15-21(19,20)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,15-16H,1H3,(H,17,18).
What are the key properties of 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid?
3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid has a molecular weight of 309.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(naphthalen-2-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 4840496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).