3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid

C9H20N2O5S — CID 115358309

IUPAC3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)NCC(C)(C)CO
InChIInChI=1S/C9H20N2O5S/c1-9(2,7-12)6-10-17(15,16)11(3)5-4-8(13)14/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyBDDGPODTFJTLEA-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.75
Rot. Bonds8

About 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid

3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid (PubChem CID 115358309) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid
PubChem CID115358309
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)NCC(C)(C)CO
InChIInChI=1S/C9H20N2O5S/c1-9(2,7-12)6-10-17(15,16)11(3)5-4-8(13)14/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyBDDGPODTFJTLEA-UHFFFAOYSA-N
XLogP-0.75
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-4-methoxy-2-methylbutyl)sulfamoyl-methylamino]propanoic acid
CID 106252638
3-[methyl(2,3,3-trimethylbutylsulfamoyl)amino]propanoic acid
CID 83142369
3-[methyl-[2-(methylsulfamoyl)ethylsulfamoyl]amino]propanoic acid
CID 114174999
3-[2-(dimethylcarbamoylamino)ethylsulfamoyl-methylamino]propanoic acid
CID 83115936
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid
CID 112737995
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
CID 110465776
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
3-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl-methylamino]propanoic acid
CID 113405032
3-[methyl(pyrrol-1-ylsulfamoyl)amino]propanoic acid
CID 79091046

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid (CID 115358309) is 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid is CN(CCC(=O)O)S(=O)(=O)NCC(C)(C)CO.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid?
The InChIKey is BDDGPODTFJTLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-9(2,7-12)6-10-17(15,16)11(3)5-4-8(13)14/h10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid?
3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid has a molecular weight of 268.33 g/mol, XLogP of -0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 115358309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).