3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid

C12H17NO5S — CID 63261722

IUPAC3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C12H17NO5S/c14-9-11(8-10-4-2-1-3-5-10)13-19(17,18)7-6-12(15)16/h1-5,11,13-14H,6-9H2,(H,15,16)
InChIKeyJKMIULCZNABPDZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.02
Rot. Bonds8

About 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid

3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid (PubChem CID 63261722) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
PubChem CID63261722
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C12H17NO5S/c14-9-11(8-10-4-2-1-3-5-10)13-19(17,18)7-6-12(15)16/h1-5,11,13-14H,6-9H2,(H,15,16)
InChIKeyJKMIULCZNABPDZ-UHFFFAOYSA-N
XLogP-0.02
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 75387057
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63261000
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
CID 102675549
methyl (3R)-3-(3-methylsulfonylpropylsulfonylamino)-4-phenylbutanoate
CID 96527775

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid (CID 63261722) is 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid?
The InChIKey is JKMIULCZNABPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c14-9-11(8-10-4-2-1-3-5-10)13-19(17,18)7-6-12(15)16/h1-5,11,13-14H,6-9H2,(H,15,16).
What are the key properties of 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid?
3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid has a molecular weight of 287.34 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 63261722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).