2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid

C7H16N2O5S — CID 66165051

IUPAC2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C7H16N2O5S/c1-5(2)9(3)15(13,14)8-4-6(10)7(11)12/h5-6,8,10H,4H2,1-3H3,(H,11,12)
InChIKeyAAMRAAMGWBRMPY-UHFFFAOYSA-N
MW240.28 g/mol
LogP-1.39
Rot. Bonds6

About 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid

2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid (PubChem CID 66165051) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
PubChem CID66165051
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Name2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C7H16N2O5S/c1-5(2)9(3)15(13,14)8-4-6(10)7(11)12/h5-6,8,10H,4H2,1-3H3,(H,11,12)
InChIKeyAAMRAAMGWBRMPY-UHFFFAOYSA-N
XLogP-1.39
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid (CID 66165051) is 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid is CC(C)N(C)S(=O)(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
The InChIKey is AAMRAAMGWBRMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-5(2)9(3)15(13,14)8-4-6(10)7(11)12/h5-6,8,10H,4H2,1-3H3,(H,11,12).
What are the key properties of 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid?
2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid has a molecular weight of 240.28 g/mol, XLogP of -1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid is sourced from PubChem (CID 66165051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).