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

C10H22N2O4S — CID 54947408

IUPAC3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)11(5)17(15,16)12(9(3)4)7-6-10(13)14/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyYDXDSKOBSXBQKT-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.76
Rot. Bonds7

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

3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid (PubChem CID 54947408) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid
PubChem CID54947408
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)11(5)17(15,16)12(9(3)4)7-6-10(13)14/h8-9H,6-7H2,1-5H3,(H,13,14)
InChIKeyYDXDSKOBSXBQKT-UHFFFAOYSA-N
XLogP0.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid (CID 54947408) is 3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid is CC(C)N(C)S(=O)(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid?
The InChIKey is YDXDSKOBSXBQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(2)11(5)17(15,16)12(9(3)4)7-6-10(13)14/h8-9H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid?
3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 54947408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).