4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid

C13H17NO5S — CID 107216248

IUPAC4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C13H17NO5S/c15-11-8-9-4-1-2-5-10(9)13(11)14-20(18,19)7-3-6-12(16)17/h1-2,4-5,11,13-15H,3,6-8H2,(H,16,17)/t11-,13+/m1/s1
InChIKeyMJWYATVHOXEDOU-YPMHNXCESA-N
MW299.35 g/mol
LogP0.43
Rot. Bonds6

About 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid

4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid (PubChem CID 107216248) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid
PubChem CID107216248
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C13H17NO5S/c15-11-8-9-4-1-2-5-10(9)13(11)14-20(18,19)7-3-6-12(16)17/h1-2,4-5,11,13-15H,3,6-8H2,(H,16,17)/t11-,13+/m1/s1
InChIKeyMJWYATVHOXEDOU-YPMHNXCESA-N
XLogP0.43
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid (CID 107216248) is 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid?
The InChIKey is MJWYATVHOXEDOU-YPMHNXCESA-N. The full InChI is InChI=1S/C13H17NO5S/c15-11-8-9-4-1-2-5-10(9)13(11)14-20(18,19)7-3-6-12(16)17/h1-2,4-5,11,13-15H,3,6-8H2,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid?
4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid has a molecular weight of 299.35 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]butanoic acid is sourced from PubChem (CID 107216248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).