2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid

C10H20N2O6S — CID 21131887

IUPAC2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid
SMILESCCCCS(=O)(=O)NC(CO)C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-3-4-5-19(17,18)12-8(6-13)9(14)11-7(2)10(15)16/h7-8,12-13H,3-6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyPFTUNLOSSHZCLC-UHFFFAOYSA-N
MW296.35 g/mol
LogP-1.34
Rot. Bonds9

About 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid

2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid (PubChem CID 21131887) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid
PubChem CID21131887
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid
SMILESCCCCS(=O)(=O)NC(CO)C(=O)NC(C)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-3-4-5-19(17,18)12-8(6-13)9(14)11-7(2)10(15)16/h7-8,12-13H,3-6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyPFTUNLOSSHZCLC-UHFFFAOYSA-N
XLogP-1.34
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid (CID 21131887) is 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid is CCCCS(=O)(=O)NC(CO)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid?
The InChIKey is PFTUNLOSSHZCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-3-4-5-19(17,18)12-8(6-13)9(14)11-7(2)10(15)16/h7-8,12-13H,3-6H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid?
2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid has a molecular weight of 296.35 g/mol, XLogP of -1.34, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(butylsulfonylamino)-3-hydroxypropanoyl]amino]propanoic acid is sourced from PubChem (CID 21131887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).